;; ;; Generated by CHARMM-GUI (http://www.charmm-gui.org) v1.7 ;; ;; psf2itp_mol.py ;; ;; Correspondance: ;; jul316@lehigh.edu or wonpil@lehigh.edu ;; ;; CHARMM36 FF in GROMACS format ;; [ defaults ] ; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ 1 2 yes 1.0 1.0 [ atomtypes ] ; name at.num mass charge ptype sigma epsilon ; sigma_14 epsilon_14 CG2O2 6 12.0110 0.920 A 3.02905564168e-01 4.100320e-01 CG311 6 12.0110 0.150 A 3.56359487256e-01 1.338880e-01 ; 3.38541512893e-01 4.184000e-02 CG321 6 12.0110 0.141 A 3.58141284692e-01 2.343040e-01 ; 3.38541512893e-01 4.184000e-02 CG331 6 12.0110 -0.273 A 3.65268474438e-01 3.263520e-01 ; 3.38541512893e-01 4.184000e-02 HGA1 1 1.0080 0.090 A 2.38760856462e-01 1.882800e-01 HGA2 1 1.0080 0.090 A 2.38760856462e-01 1.464400e-01 HGA3 1 1.0080 0.090 A 2.38760856462e-01 1.004160e-01 HGP1 1 1.0080 0.420 A 4.00013524445e-02 1.924640e-01 OG2D1 8 15.9994 -0.631 A 3.02905564168e-01 5.020800e-01 ; 2.49451641079e-01 5.020800e-01 OG2P1 8 15.9994 -0.382 A 3.02905564168e-01 5.020800e-01 OG301 8 15.9994 -0.324 A 2.93996576986e-01 4.184000e-01 OG302 8 15.9994 -0.489 A 2.93996576986e-01 4.184000e-01 OG311 8 15.9994 -0.641 A 3.14487247504e-01 8.037464e-01 OG3C61 8 15.9994 -0.364 A 2.93996576986e-01 4.184000e-01 SG311 16 32.0600 -0.156 A 3.56359487256e-01 1.882800e+00 SG3O2 16 32.0600 0.224 A 3.56359487256e-01 1.464400e+00 [ bondtypes ] ; i j func b0 Kb CG2O2 CG311 1 1.522000e-01 1.673600e+05 CG2O2 CG321 1 1.522000e-01 1.673600e+05 CG2O2 CG331 1 1.522000e-01 1.673600e+05 CG2O2 OG2D1 1 1.220000e-01 6.276000e+05 CG2O2 OG302 1 1.334000e-01 1.255200e+05 CG2O2 OG311 1 1.400000e-01 1.924640e+05 CG2O2 SG311 1 1.774700e-01 1.429673e+05 CG311 CG311 1 1.500000e-01 1.861880e+05 CG311 CG321 1 1.538000e-01 1.861880e+05 CG311 CG331 1 1.538000e-01 1.861880e+05 CG311 HGA1 1 1.111000e-01 2.585712e+05 CG311 HGA3 1 1.111000e-01 2.694496e+05 CG311 OG301 1 1.415000e-01 3.012480e+05 CG311 OG302 1 1.430000e-01 2.845120e+05 CG311 OG311 1 1.420000e-01 3.581504e+05 CG311 OG3C61 1 1.415000e-01 3.012480e+05 CG311 SG311 1 1.818000e-01 1.656864e+05 CG321 CG321 1 1.530000e-01 1.861880e+05 CG321 CG331 1 1.528000e-01 1.861880e+05 CG321 HGA2 1 1.111000e-01 2.585712e+05 CG321 OG301 1 1.415000e-01 3.012480e+05 CG321 OG302 1 1.440000e-01 2.677760e+05 CG321 OG311 1 1.420000e-01 3.581504e+05 CG321 OG3C61 1 1.415000e-01 3.012480e+05 CG321 SG311 1 1.818000e-01 1.656864e+05 CG321 SG3O2 1 1.790000e-01 1.548080e+05 CG331 CG331 1 1.530000e-01 1.861880e+05 CG331 HGA3 1 1.111000e-01 2.694496e+05 CG331 OG301 1 1.415000e-01 3.012480e+05 CG331 OG302 1 1.430000e-01 2.845120e+05 CG331 OG311 1 1.420000e-01 3.581504e+05 CG331 SG311 1 1.816000e-01 2.008320e+05 CG331 SG3O2 1 1.790000e-01 1.757280e+05 OG2P1 SG3O2 1 1.440000e-01 5.271840e+05 OG301 OG311 1 1.513000e-01 1.395782e+05 OG311 HGP1 1 9.600000e-02 4.560560e+05 OG311 SG3O2 1 1.600000e-01 1.966480e+05 [ pairtypes ] ; i j func sigma1-4 epsilon1-4 CG2O2 CG311 1 3.20723538531e-01 1.30979917850e-01 CG2O2 CG321 1 3.20723538531e-01 1.30979917850e-01 CG2O2 CG331 1 3.20723538531e-01 1.30979917850e-01 CG2O2 OG2D1 1 2.76178602624e-01 4.53727744975e-01 CG311 CG311 1 3.38541512893e-01 4.18400000000e-02 CG311 CG321 1 3.38541512893e-01 4.18400000000e-02 CG311 CG331 1 3.38541512893e-01 4.18400000000e-02 CG311 HGA1 1 2.88651184677e-01 8.87560431745e-02 CG311 HGA2 1 2.88651184677e-01 7.82754725313e-02 CG311 HGA3 1 2.88651184677e-01 6.48182492821e-02 CG311 HGP1 1 1.89271432669e-01 8.97368027066e-02 CG311 OG2D1 1 2.93996576986e-01 1.44938011577e-01 CG311 OG2P1 1 3.20723538531e-01 1.44938011577e-01 CG311 OG301 1 3.16269044940e-01 1.32309697301e-01 CG311 OG302 1 3.16269044940e-01 1.32309697301e-01 CG311 OG311 1 3.26514380198e-01 1.83381431383e-01 CG311 OG3C61 1 3.16269044940e-01 1.32309697301e-01 CG311 SG311 1 3.47450500075e-01 2.80671252536e-01 CG311 SG3O2 1 3.47450500075e-01 2.47528778125e-01 CG321 CG321 1 3.38541512893e-01 4.18400000000e-02 CG321 CG331 1 3.38541512893e-01 4.18400000000e-02 CG321 HGA1 1 2.88651184677e-01 8.87560431745e-02 CG321 HGA2 1 2.88651184677e-01 7.82754725313e-02 CG321 HGA3 1 2.88651184677e-01 6.48182492821e-02 CG321 HGP1 1 1.89271432669e-01 8.97368027066e-02 CG321 OG2D1 1 2.93996576986e-01 1.44938011577e-01 CG321 OG2P1 1 3.20723538531e-01 1.44938011577e-01 CG321 OG301 1 3.16269044940e-01 1.32309697301e-01 CG321 OG302 1 3.16269044940e-01 1.32309697301e-01 CG321 OG311 1 3.26514380198e-01 1.83381431383e-01 CG321 OG3C61 1 3.16269044940e-01 1.32309697301e-01 CG321 SG311 1 3.47450500075e-01 2.80671252536e-01 CG321 SG3O2 1 3.47450500075e-01 2.47528778125e-01 CG331 CG331 1 3.38541512893e-01 4.18400000000e-02 CG331 HGA1 1 2.88651184677e-01 8.87560431745e-02 CG331 HGA2 1 2.88651184677e-01 7.82754725313e-02 CG331 HGA3 1 2.88651184677e-01 6.48182492821e-02 CG331 HGP1 1 1.89271432669e-01 8.97368027066e-02 CG331 OG2D1 1 2.93996576986e-01 1.44938011577e-01 CG331 OG2P1 1 3.20723538531e-01 1.44938011577e-01 CG331 OG301 1 3.16269044940e-01 1.32309697301e-01 CG331 OG302 1 3.16269044940e-01 1.32309697301e-01 CG331 OG311 1 3.26514380198e-01 1.83381431383e-01 CG331 OG3C61 1 3.16269044940e-01 1.32309697301e-01 CG331 SG311 1 3.47450500075e-01 2.80671252536e-01 CG331 SG3O2 1 3.47450500075e-01 2.47528778125e-01 HGA1 OG2D1 1 2.44106248770e-01 3.07459952514e-01 HGA2 OG2D1 1 2.44106248770e-01 2.71154190821e-01 HGA3 OG2D1 1 2.44106248770e-01 2.24537002029e-01 HGP1 OG2D1 1 1.44726496762e-01 3.10857403193e-01 OG2D1 OG2D1 1 2.49451641079e-01 5.02080000000e-01 OG2D1 OG2P1 1 2.76178602624e-01 5.02080000000e-01 OG2D1 OG301 1 2.71724109033e-01 4.58334236120e-01 OG2D1 OG302 1 2.71724109033e-01 4.58334236120e-01 OG2D1 OG311 1 2.81969444291e-01 6.35251912639e-01 OG2D1 OG3C61 1 2.71724109033e-01 4.58334236120e-01 OG2D1 SG311 1 3.02905564168e-01 9.72273739232e-01 OG2D1 SG3O2 1 3.02905564168e-01 8.57464840095e-01 [ angletypes ] ; i j k func th0 cth S0 Kub CG2O2 CG311 CG2O2 5 1.0750000e+02 4.3346240e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG311 CG311 5 1.0800000e+02 4.3513600e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG311 CG321 5 1.0800000e+02 4.3513600e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG311 CG331 5 1.0800000e+02 4.3513600e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG311 HGA1 5 1.0950000e+02 4.1840000e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG311 OG301 5 1.0900000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG311 OG302 5 1.0900000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG311 OG311 5 1.0670000e+02 9.2048000e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG321 CG311 5 1.0800000e+02 4.3513600e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG321 CG321 5 1.0800000e+02 4.3513600e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG321 CG331 5 1.0800000e+02 4.3513600e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG321 HGA2 5 1.0950000e+02 2.7614400e+02 2.1630000e-01 2.5104000e+04 CG2O2 CG321 OG301 5 1.0900000e+02 5.8576000e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG321 SG311 5 1.0723000e+02 4.2802320e+02 0.0000000e+00 0.0000000e+00 CG2O2 CG331 HGA3 5 1.0950000e+02 2.7614400e+02 2.1630000e-01 2.5104000e+04 CG2O2 OG302 CG2O2 5 1.2000000e+02 1.5480800e+03 0.0000000e+00 0.0000000e+00 CG2O2 OG302 CG311 5 1.0960000e+02 3.3472000e+02 2.2651000e-01 2.5104000e+04 CG2O2 OG302 CG321 5 1.0960000e+02 3.3472000e+02 2.2651000e-01 2.5104000e+04 CG2O2 OG302 CG331 5 1.0960000e+02 3.3472000e+02 2.2651000e-01 2.5104000e+04 CG2O2 OG311 HGP1 5 1.1500000e+02 4.6024000e+02 0.0000000e+00 0.0000000e+00 CG2O2 SG311 CG321 5 9.6000000e+01 5.0208000e+02 0.0000000e+00 0.0000000e+00 CG2O2 SG311 CG331 5 9.6000000e+01 5.0208000e+02 0.0000000e+00 0.0000000e+00 CG311 CG2O2 OG2D1 5 1.2500000e+02 5.8576000e+02 2.4420000e-01 1.6736000e+04 CG311 CG2O2 OG302 5 1.0900000e+02 4.6024000e+02 2.3260000e-01 1.6736000e+04 CG311 CG2O2 OG311 5 1.1050000e+02 4.6024000e+02 0.0000000e+00 0.0000000e+00 CG311 CG311 CG311 5 1.1100000e+02 4.4643280e+02 2.5610000e-01 6.6944000e+03 CG311 CG311 CG321 5 1.1100000e+02 4.4643280e+02 2.5610000e-01 6.6944000e+03 CG311 CG311 CG331 5 1.0850000e+02 4.4643280e+02 2.5610000e-01 6.6944000e+03 CG311 CG311 HGA1 5 1.1010000e+02 2.8869600e+02 2.1790000e-01 1.8853104e+04 CG311 CG311 OG301 5 1.0970000e+02 9.6232000e+02 0.0000000e+00 0.0000000e+00 CG311 CG311 OG311 5 1.1010000e+02 6.3345760e+02 0.0000000e+00 0.0000000e+00 CG311 CG311 OG3C61 5 1.1150000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 CG311 CG321 CG311 5 1.1350000e+02 4.8827280e+02 2.5610000e-01 9.3386880e+03 CG311 CG321 CG321 5 1.1350000e+02 4.8827280e+02 2.5610000e-01 9.3386880e+03 CG311 CG321 CG331 5 1.1350000e+02 4.8827280e+02 2.5610000e-01 9.3386880e+03 CG311 CG321 HGA2 5 1.1010000e+02 2.7974224e+02 2.1790000e-01 1.8853104e+04 CG311 CG321 OG301 5 1.1010000e+02 6.3345760e+02 0.0000000e+00 0.0000000e+00 CG311 CG321 OG302 5 1.1010000e+02 6.3345760e+02 0.0000000e+00 0.0000000e+00 CG311 CG321 OG311 5 1.1010000e+02 6.3345760e+02 0.0000000e+00 0.0000000e+00 CG311 CG321 SG311 5 1.1250000e+02 4.8534400e+02 0.0000000e+00 0.0000000e+00 CG311 CG331 HGA3 5 1.1010000e+02 2.7974224e+02 2.1790000e-01 1.8853104e+04 CG311 OG301 CG321 5 1.0970000e+02 7.9496000e+02 0.0000000e+00 0.0000000e+00 CG311 OG301 CG331 5 1.0970000e+02 7.9496000e+02 0.0000000e+00 0.0000000e+00 CG311 OG301 OG311 5 1.0400000e+02 6.0249600e+02 0.0000000e+00 0.0000000e+00 CG311 OG311 HGP1 5 1.0600000e+02 4.1840000e+02 0.0000000e+00 0.0000000e+00 CG311 OG3C61 CG311 5 1.0970000e+02 7.9496000e+02 0.0000000e+00 0.0000000e+00 CG311 OG3C61 CG321 5 1.0970000e+02 7.9496000e+02 0.0000000e+00 0.0000000e+00 CG311 SG311 CG321 5 9.5000000e+01 2.8451200e+02 0.0000000e+00 0.0000000e+00 CG311 SG311 CG331 5 9.5000000e+01 2.8451200e+02 0.0000000e+00 0.0000000e+00 CG321 CG2O2 OG2D1 5 1.2500000e+02 5.8576000e+02 2.4420000e-01 1.6736000e+04 CG321 CG2O2 OG302 5 1.0900000e+02 4.6024000e+02 2.3260000e-01 1.6736000e+04 CG321 CG2O2 OG311 5 1.1050000e+02 4.6024000e+02 0.0000000e+00 0.0000000e+00 CG321 CG2O2 SG311 5 1.1273000e+02 3.3128912e+02 2.7670000e-01 1.6677424e+04 CG321 CG311 CG321 5 1.1350000e+02 4.8827280e+02 2.5610000e-01 9.3386880e+03 CG321 CG311 CG331 5 1.1400000e+02 4.4643280e+02 2.5610000e-01 6.6944000e+03 CG321 CG311 HGA1 5 1.1010000e+02 2.8869600e+02 2.1790000e-01 1.8853104e+04 CG321 CG311 OG301 5 1.0970000e+02 9.6232000e+02 0.0000000e+00 0.0000000e+00 CG321 CG311 OG302 5 1.0970000e+02 9.6232000e+02 0.0000000e+00 0.0000000e+00 CG321 CG311 OG311 5 1.1000000e+02 6.3345760e+02 0.0000000e+00 0.0000000e+00 CG321 CG311 OG3C61 5 1.1150000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 CG321 CG311 SG311 5 1.1450000e+02 4.8534400e+02 0.0000000e+00 0.0000000e+00 CG321 CG321 CG321 5 1.1360000e+02 4.8827280e+02 2.5610000e-01 9.3386880e+03 CG321 CG321 CG331 5 1.1500000e+02 4.8534400e+02 2.5610000e-01 6.6944000e+03 CG321 CG321 HGA2 5 1.1010000e+02 2.2175200e+02 2.1790000e-01 1.8853104e+04 CG321 CG321 OG301 5 1.1150000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 CG321 CG321 OG302 5 1.1010000e+02 6.3345760e+02 0.0000000e+00 0.0000000e+00 CG321 CG321 OG311 5 1.1010000e+02 6.3345760e+02 0.0000000e+00 0.0000000e+00 CG321 CG321 OG3C61 5 1.1150000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 CG321 CG321 SG311 5 1.1450000e+02 4.8534400e+02 0.0000000e+00 0.0000000e+00 CG321 CG321 SG3O2 5 1.0500000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 CG321 CG331 HGA3 5 1.1010000e+02 2.8953280e+02 2.1790000e-01 1.8853104e+04 CG321 OG301 CG311 5 1.0970000e+02 7.9496000e+02 0.0000000e+00 0.0000000e+00 CG321 OG301 CG321 5 1.0970000e+02 7.9496000e+02 0.0000000e+00 0.0000000e+00 CG321 OG301 CG331 5 1.0970000e+02 7.9496000e+02 0.0000000e+00 0.0000000e+00 CG321 OG311 HGP1 5 1.0600000e+02 4.1840000e+02 0.0000000e+00 0.0000000e+00 CG321 OG3C61 CG321 5 1.0970000e+02 7.9496000e+02 0.0000000e+00 0.0000000e+00 CG321 SG311 CG321 5 9.5000000e+01 2.8451200e+02 0.0000000e+00 0.0000000e+00 CG321 SG311 CG331 5 9.5000000e+01 2.8451200e+02 0.0000000e+00 0.0000000e+00 CG321 SG3O2 CG321 5 1.0200000e+02 6.6944000e+02 0.0000000e+00 0.0000000e+00 CG321 SG3O2 CG331 5 1.0200000e+02 6.6944000e+02 0.0000000e+00 0.0000000e+00 CG321 SG3O2 OG2P1 5 1.0750000e+02 6.2760000e+02 0.0000000e+00 0.0000000e+00 CG331 CG2O2 OG2D1 5 1.2500000e+02 5.8576000e+02 2.4420000e-01 1.6736000e+04 CG331 CG2O2 OG302 5 1.0900000e+02 4.6024000e+02 2.3260000e-01 1.6736000e+04 CG331 CG2O2 OG311 5 1.1050000e+02 4.6024000e+02 0.0000000e+00 0.0000000e+00 CG331 CG2O2 SG311 5 1.1603000e+02 3.5848512e+02 2.7788000e-01 1.6685792e+04 CG331 CG311 CG331 5 1.1400000e+02 4.4643280e+02 2.5610000e-01 6.6944000e+03 CG331 CG311 HGA1 5 1.1010000e+02 2.8869600e+02 2.1790000e-01 1.8853104e+04 CG331 CG311 OG301 5 1.1150000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 CG331 CG311 OG302 5 1.1010000e+02 6.3345760e+02 0.0000000e+00 0.0000000e+00 CG331 CG311 OG311 5 1.1010000e+02 6.3345760e+02 0.0000000e+00 0.0000000e+00 CG331 CG311 SG311 5 1.1450000e+02 4.8534400e+02 0.0000000e+00 0.0000000e+00 CG331 CG321 CG331 5 1.1400000e+02 4.4643280e+02 2.5610000e-01 6.6944000e+03 CG331 CG321 HGA2 5 1.1010000e+02 2.8953280e+02 2.1790000e-01 1.8853104e+04 CG331 CG321 OG301 5 1.1150000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 CG331 CG321 OG302 5 1.1010000e+02 6.3345760e+02 0.0000000e+00 0.0000000e+00 CG331 CG321 OG311 5 1.1010000e+02 6.3345760e+02 0.0000000e+00 0.0000000e+00 CG331 CG321 SG311 5 1.1450000e+02 4.8534400e+02 0.0000000e+00 0.0000000e+00 CG331 CG321 SG3O2 5 1.0500000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 CG331 CG331 HGA3 5 1.1010000e+02 3.1380000e+02 2.1790000e-01 1.8853104e+04 CG331 OG301 CG331 5 1.0970000e+02 7.9496000e+02 0.0000000e+00 0.0000000e+00 CG331 OG301 OG311 5 1.0400000e+02 6.0249600e+02 0.0000000e+00 0.0000000e+00 CG331 OG311 HGP1 5 1.0600000e+02 4.8116000e+02 0.0000000e+00 0.0000000e+00 CG331 SG3O2 CG331 5 1.0200000e+02 6.6944000e+02 0.0000000e+00 0.0000000e+00 CG331 SG3O2 OG2P1 5 1.0850000e+02 6.6107200e+02 0.0000000e+00 0.0000000e+00 HGA2 CG321 HGA2 5 1.0900000e+02 2.9706400e+02 1.8020000e-01 4.5187200e+03 HGA3 CG331 HGA3 5 1.0840000e+02 2.9706400e+02 1.8020000e-01 4.5187200e+03 OG2D1 CG2O2 OG302 5 1.2590000e+02 7.5312000e+02 2.2576000e-01 1.3388800e+05 OG2D1 CG2O2 OG311 5 1.2300000e+02 4.1840000e+02 2.2620000e-01 1.7572800e+05 OG2D1 CG2O2 SG311 5 1.2240000e+02 5.7220384e+02 2.7094000e-01 1.6476592e+04 OG2P1 SG3O2 OG2P1 5 1.2100000e+02 7.1128000e+02 0.0000000e+00 0.0000000e+00 OG2P1 SG3O2 OG311 5 1.0900000e+02 7.5312000e+02 0.0000000e+00 0.0000000e+00 OG301 CG311 HGA1 5 1.0950000e+02 5.0208000e+02 0.0000000e+00 0.0000000e+00 OG301 CG311 OG311 5 1.1650000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 OG301 CG311 OG3C61 5 1.1200000e+02 7.5312000e+02 0.0000000e+00 0.0000000e+00 OG301 CG321 HGA2 5 1.0889000e+02 3.8409120e+02 0.0000000e+00 0.0000000e+00 OG301 CG321 SG311 5 1.1450000e+02 4.8534400e+02 0.0000000e+00 0.0000000e+00 OG301 CG331 HGA3 5 1.0889000e+02 3.8409120e+02 0.0000000e+00 0.0000000e+00 OG301 OG311 HGP1 5 9.8300000e+01 5.1044800e+02 0.0000000e+00 0.0000000e+00 OG302 CG311 HGA1 5 1.0950000e+02 5.0208000e+02 0.0000000e+00 0.0000000e+00 OG302 CG311 OG302 5 1.1200000e+02 7.5312000e+02 0.0000000e+00 0.0000000e+00 OG302 CG311 OG311 5 1.1650000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 OG302 CG321 HGA2 5 1.0950000e+02 5.0208000e+02 0.0000000e+00 0.0000000e+00 OG302 CG331 HGA3 5 1.0950000e+02 5.0208000e+02 0.0000000e+00 0.0000000e+00 OG311 CG311 HGA1 5 1.0889000e+02 3.8409120e+02 0.0000000e+00 0.0000000e+00 OG311 CG311 OG311 5 1.1715000e+02 8.4098400e+02 0.0000000e+00 0.0000000e+00 OG311 CG311 OG3C61 5 1.1200000e+02 7.5312000e+02 0.0000000e+00 0.0000000e+00 OG311 CG311 SG311 5 1.1568000e+02 5.6935872e+02 0.0000000e+00 0.0000000e+00 OG311 CG321 HGA2 5 1.0889000e+02 3.8409120e+02 0.0000000e+00 0.0000000e+00 OG311 CG321 SG311 5 1.1227000e+02 4.7061632e+02 0.0000000e+00 0.0000000e+00 OG311 CG331 HGA3 5 1.0889000e+02 3.8409120e+02 0.0000000e+00 0.0000000e+00 OG311 SG3O2 OG311 5 1.0200000e+02 8.3680000e+02 0.0000000e+00 0.0000000e+00 OG3C61 CG311 HGA1 5 1.0950000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 OG3C61 CG321 HGA2 5 1.0950000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 OG3C61 CG321 OG3C61 5 1.1050000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 SG311 CG311 HGA1 5 1.1130000e+02 3.8576480e+02 0.0000000e+00 0.0000000e+00 SG311 CG321 HGA2 5 1.1130000e+02 3.8576480e+02 0.0000000e+00 0.0000000e+00 SG311 CG321 SG311 5 1.1700000e+02 8.3680000e+02 0.0000000e+00 0.0000000e+00 SG311 CG331 HGA3 5 1.1130000e+02 3.8576480e+02 0.0000000e+00 0.0000000e+00 SG3O2 CG321 HGA2 5 1.0700000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 SG3O2 CG331 HGA3 5 1.0850000e+02 3.7656000e+02 0.0000000e+00 0.0000000e+00 SG3O2 OG311 HGP1 5 1.1500000e+02 2.5104000e+02 2.3500000e-01 3.3472000e+04 [ dihedraltypes ] ; i j k l func phi0 cp mult CG2O2 CG311 CG311 CG321 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 CG311 CG331 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 CG311 HGA1 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 CG311 OG301 9 0.000000e+00 3.347200e+00 2 CG2O2 CG311 CG311 OG301 9 1.800000e+02 8.368000e+00 1 CG2O2 CG311 CG311 OG311 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 CG321 CG2O2 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 CG321 CG311 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 CG321 CG321 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 CG321 CG331 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 CG321 HGA2 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 CG321 OG301 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 CG321 OG311 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 CG331 HGA3 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 OG301 CG321 9 0.000000e+00 8.368000e-01 3 CG2O2 CG311 OG302 CG2O2 9 0.000000e+00 0.000000e+00 3 CG2O2 CG311 OG311 HGP1 9 0.000000e+00 1.464400e+00 3 CG2O2 CG311 OG311 HGP1 9 1.800000e+02 1.589920e+00 2 CG2O2 CG311 OG311 HGP1 9 1.800000e+02 3.556400e+00 1 CG2O2 CG321 CG321 CG311 9 0.000000e+00 8.158800e-01 3 CG2O2 CG321 CG321 CG321 9 0.000000e+00 4.602400e-01 4 CG2O2 CG321 CG321 CG321 9 0.000000e+00 1.631760e+00 2 CG2O2 CG321 CG321 CG321 9 1.800000e+02 3.765600e-01 6 CG2O2 CG321 CG321 CG321 9 1.800000e+02 8.786400e-01 1 CG2O2 CG321 CG321 CG321 9 1.800000e+02 1.464400e+00 3 CG2O2 CG321 CG321 CG331 9 0.000000e+00 4.602400e-01 4 CG2O2 CG321 CG321 CG331 9 0.000000e+00 1.631760e+00 2 CG2O2 CG321 CG321 CG331 9 1.800000e+02 3.765600e-01 6 CG2O2 CG321 CG321 CG331 9 1.800000e+02 8.786400e-01 1 CG2O2 CG321 CG321 CG331 9 1.800000e+02 1.464400e+00 3 CG2O2 CG321 CG321 HGA2 9 0.000000e+00 8.158800e-01 3 CG2O2 CG321 CG321 OG301 9 0.000000e+00 8.368000e-01 3 CG2O2 CG321 CG321 OG311 9 0.000000e+00 8.368000e-01 3 CG2O2 CG321 CG321 SG311 9 0.000000e+00 8.368000e-01 3 CG2O2 CG321 CG331 HGA3 9 0.000000e+00 6.694400e-01 3 CG2O2 CG321 OG301 CG331 9 0.000000e+00 2.468560e+00 3 CG2O2 CG321 OG301 CG331 9 0.000000e+00 3.347200e+00 2 CG2O2 CG321 OG301 CG331 9 1.800000e+02 4.184000e-01 1 CG2O2 CG321 SG311 CG321 9 0.000000e+00 3.046789e+00 3 CG2O2 CG321 SG311 CG321 9 1.800000e+02 6.631640e-01 1 CG311 CG2O2 OG302 CG311 9 1.800000e+02 8.577200e+00 2 CG311 CG2O2 OG302 CG321 9 1.800000e+02 8.577200e+00 2 CG311 CG2O2 OG302 CG331 9 1.800000e+02 8.577200e+00 2 CG311 CG2O2 OG311 HGP1 9 1.800000e+02 8.577200e+00 2 CG311 CG311 CG311 CG311 9 1.800000e+02 2.092000e+00 4 CG311 CG311 CG311 CG321 9 1.800000e+02 2.092000e+00 4 CG311 CG311 CG311 CG331 9 1.800000e+02 2.092000e+00 4 CG311 CG311 CG311 HGA1 9 0.000000e+00 8.158800e-01 3 CG311 CG311 CG311 OG301 9 0.000000e+00 1.631760e+00 2 CG311 CG311 CG311 OG301 9 1.800000e+02 6.694400e-01 1 CG311 CG311 CG311 OG311 9 0.000000e+00 5.857600e-01 3 CG311 CG311 CG311 OG3C61 9 0.000000e+00 2.510400e+00 3 CG311 CG311 CG311 OG3C61 9 1.800000e+02 3.347200e-01 4 CG311 CG311 CG311 OG3C61 9 1.800000e+02 7.949600e-01 1 CG311 CG311 CG311 OG3C61 9 1.800000e+02 4.184000e+00 2 CG311 CG311 CG321 CG311 9 0.000000e+00 8.368000e-01 3 CG311 CG311 CG321 CG321 9 0.000000e+00 8.368000e-01 3 CG311 CG311 CG321 CG331 9 0.000000e+00 8.368000e-01 3 CG311 CG311 CG321 HGA2 9 0.000000e+00 8.158800e-01 3 CG311 CG311 CG321 OG301 9 1.800000e+02 8.368000e-01 3 CG311 CG311 CG321 OG302 9 1.800000e+02 8.368000e-01 3 CG311 CG311 CG321 OG311 9 1.800000e+02 8.368000e-01 3 CG311 CG311 CG321 SG311 9 0.000000e+00 8.158800e-01 3 CG311 CG311 CG331 HGA3 9 0.000000e+00 8.368000e-01 3 CG311 CG311 OG301 CG321 9 0.000000e+00 1.673600e+00 1 CG311 CG311 OG301 CG321 9 0.000000e+00 2.050160e+00 3 CG311 CG311 OG301 CG331 9 0.000000e+00 1.673600e+00 1 CG311 CG311 OG301 CG331 9 0.000000e+00 2.050160e+00 3 CG311 CG311 OG301 OG311 9 0.000000e+00 2.092000e+00 3 CG311 CG311 OG301 OG311 9 1.800000e+02 4.602400e+00 1 CG311 CG311 OG311 HGP1 9 0.000000e+00 7.531200e-01 2 CG311 CG311 OG311 HGP1 9 0.000000e+00 1.924640e+00 3 CG311 CG311 OG311 HGP1 9 0.000000e+00 5.564720e+00 1 CG311 CG311 OG3C61 CG311 9 0.000000e+00 6.276000e-01 4 CG311 CG311 OG3C61 CG311 9 0.000000e+00 2.845120e+00 2 CG311 CG311 OG3C61 CG311 9 1.800000e+02 8.786400e-01 3 CG311 CG311 OG3C61 CG311 9 1.800000e+02 2.217520e+00 1 CG311 CG321 CG321 CG311 9 0.000000e+00 8.158800e-01 3 CG311 CG321 CG321 CG321 9 0.000000e+00 2.092000e+00 3 CG311 CG321 CG321 CG321 9 1.800000e+02 2.092000e+00 6 CG311 CG321 CG321 CG331 9 0.000000e+00 4.527088e-01 4 CG311 CG321 CG321 CG331 9 0.000000e+00 6.296920e-01 2 CG311 CG321 CG321 CG331 9 0.000000e+00 8.531176e-01 5 CG311 CG321 CG321 CG331 9 1.800000e+02 3.401592e-01 3 CG311 CG321 CG321 HGA2 9 0.000000e+00 8.158800e-01 3 CG311 CG321 CG321 OG301 9 0.000000e+00 1.631760e+00 2 CG311 CG321 CG321 OG301 9 1.800000e+02 6.694400e-01 1 CG311 CG321 CG321 OG302 9 0.000000e+00 8.158800e-01 3 CG311 CG321 CG321 OG311 9 0.000000e+00 8.158800e-01 3 CG311 CG321 CG321 SG311 9 0.000000e+00 8.158800e-01 3 CG311 CG321 CG331 HGA3 9 0.000000e+00 6.694400e-01 3 CG311 CG321 OG301 CG311 9 0.000000e+00 1.213360e+00 2 CG311 CG321 OG301 CG311 9 0.000000e+00 1.799120e+00 3 CG311 CG321 OG301 CG311 9 0.000000e+00 2.384880e+00 1 CG311 CG321 OG301 CG321 9 0.000000e+00 1.213360e+00 2 CG311 CG321 OG301 CG321 9 0.000000e+00 1.799120e+00 3 CG311 CG321 OG301 CG321 9 0.000000e+00 2.384880e+00 1 CG311 CG321 OG301 CG331 9 0.000000e+00 1.213360e+00 2 CG311 CG321 OG301 CG331 9 0.000000e+00 1.799120e+00 3 CG311 CG321 OG301 CG331 9 0.000000e+00 2.384880e+00 1 CG311 CG321 OG302 CG2O2 9 0.000000e+00 0.000000e+00 3 CG311 CG321 OG311 HGP1 9 0.000000e+00 5.857600e-01 2 CG311 CG321 OG311 HGP1 9 0.000000e+00 1.004160e+00 3 CG311 CG321 OG311 HGP1 9 0.000000e+00 4.727920e+00 1 CG311 CG321 SG311 CG321 9 0.000000e+00 1.548080e+00 3 CG311 CG321 SG311 CG321 9 1.800000e+02 1.004160e+00 1 CG311 OG301 OG311 HGP1 9 0.000000e+00 5.020800e-01 3 CG311 OG301 OG311 HGP1 9 0.000000e+00 1.673600e+00 1 CG311 OG301 OG311 HGP1 9 0.000000e+00 4.811600e+00 2 CG321 CG2O2 OG302 CG2O2 9 1.800000e+02 8.577200e+00 2 CG321 CG2O2 OG302 CG311 9 1.800000e+02 8.577200e+00 2 CG321 CG2O2 OG302 CG321 9 1.800000e+02 8.577200e+00 2 CG321 CG2O2 OG302 CG331 9 1.800000e+02 8.577200e+00 2 CG321 CG2O2 OG311 HGP1 9 1.800000e+02 8.577200e+00 2 CG321 CG2O2 SG311 CG321 9 0.000000e+00 1.579042e+00 3 CG321 CG2O2 SG311 CG321 9 0.000000e+00 2.447222e+00 6 CG321 CG2O2 SG311 CG321 9 0.000000e+00 3.545522e+00 1 CG321 CG2O2 SG311 CG321 9 1.800000e+02 1.137630e+00 2 CG321 CG2O2 SG311 CG321 9 1.800000e+02 2.821271e+00 4 CG321 CG2O2 SG311 CG331 9 1.800000e+02 6.229558e+00 1 CG321 CG2O2 SG311 CG331 9 1.800000e+02 7.723664e+00 2 CG321 CG311 CG311 CG321 9 1.800000e+02 2.092000e+00 4 CG321 CG311 CG311 CG331 9 1.800000e+02 2.092000e+00 4 CG321 CG311 CG311 HGA1 9 0.000000e+00 8.158800e-01 3 CG321 CG311 CG311 OG311 9 0.000000e+00 5.857600e-01 3 CG321 CG311 CG321 CG311 9 0.000000e+00 8.368000e-01 3 CG321 CG311 CG321 CG321 9 0.000000e+00 8.368000e-01 3 CG321 CG311 CG321 CG331 9 0.000000e+00 8.368000e-01 3 CG321 CG311 CG321 HGA2 9 0.000000e+00 8.158800e-01 1 CG321 CG311 CG321 OG301 9 1.800000e+02 8.368000e-01 3 CG321 CG311 CG321 OG302 9 1.800000e+02 8.368000e-01 3 CG321 CG311 CG321 OG311 9 1.800000e+02 8.368000e-01 3 CG321 CG311 CG331 HGA3 9 0.000000e+00 8.368000e-01 3 CG321 CG311 OG301 CG321 9 0.000000e+00 1.673600e+00 1 CG321 CG311 OG301 CG321 9 0.000000e+00 2.050160e+00 3 CG321 CG311 OG301 OG311 9 0.000000e+00 2.092000e+00 3 CG321 CG311 OG301 OG311 9 1.800000e+02 4.602400e+00 1 CG321 CG311 OG302 CG2O2 9 1.800000e+02 2.928800e+00 1 CG321 CG311 OG311 HGP1 9 0.000000e+00 1.255200e+00 1 CG321 CG311 OG311 HGP1 9 0.000000e+00 1.255200e+00 3 CG321 CG311 OG3C61 CG321 9 0.000000e+00 6.276000e-01 4 CG321 CG311 OG3C61 CG321 9 0.000000e+00 2.845120e+00 2 CG321 CG311 OG3C61 CG321 9 1.800000e+02 8.786400e-01 3 CG321 CG311 OG3C61 CG321 9 1.800000e+02 2.217520e+00 1 CG321 CG311 SG311 CG321 9 0.000000e+00 1.548080e+00 3 CG321 CG311 SG311 CG321 9 1.800000e+02 1.004160e+00 1 CG321 CG321 CG321 CG321 9 0.000000e+00 2.698680e-01 2 CG321 CG321 CG321 CG321 9 0.000000e+00 3.957227e-01 4 CG321 CG321 CG321 CG321 9 0.000000e+00 4.707418e-01 5 CG321 CG321 CG321 CG321 9 1.800000e+02 6.265540e-01 3 CG321 CG321 CG321 CG331 9 0.000000e+00 4.528762e-01 4 CG321 CG321 CG321 CG331 9 0.000000e+00 6.297338e-01 2 CG321 CG321 CG321 CG331 9 0.000000e+00 8.531594e-01 5 CG321 CG321 CG321 CG331 9 1.800000e+02 3.402847e-01 3 CG321 CG321 CG321 HGA2 9 0.000000e+00 8.158800e-01 3 CG321 CG321 CG321 OG301 9 0.000000e+00 1.631760e+00 2 CG321 CG321 CG321 OG301 9 1.800000e+02 6.694400e-01 1 CG321 CG321 CG321 OG302 9 0.000000e+00 8.158800e-01 3 CG321 CG321 CG321 OG311 9 0.000000e+00 8.158800e-01 3 CG321 CG321 CG321 OG3C61 9 0.000000e+00 2.510400e+00 3 CG321 CG321 CG321 OG3C61 9 1.800000e+02 3.347200e-01 4 CG321 CG321 CG321 OG3C61 9 1.800000e+02 7.949600e-01 1 CG321 CG321 CG321 OG3C61 9 1.800000e+02 4.184000e+00 2 CG321 CG321 CG321 SG311 9 0.000000e+00 8.158800e-01 3 CG321 CG321 CG331 HGA3 9 0.000000e+00 6.694400e-01 3 CG321 CG321 OG301 CG311 9 0.000000e+00 1.213360e+00 2 CG321 CG321 OG301 CG311 9 0.000000e+00 1.213360e+00 2 CG321 CG321 OG301 CG311 9 0.000000e+00 1.799120e+00 3 CG321 CG321 OG301 CG311 9 0.000000e+00 1.799120e+00 3 CG321 CG321 OG301 CG311 9 0.000000e+00 2.384880e+00 1 CG321 CG321 OG301 CG311 9 0.000000e+00 2.384880e+00 1 CG321 CG321 OG301 CG321 9 0.000000e+00 1.213360e+00 2 CG321 CG321 OG301 CG321 9 0.000000e+00 1.799120e+00 3 CG321 CG321 OG301 CG321 9 0.000000e+00 2.384880e+00 1 CG321 CG321 OG301 CG331 9 0.000000e+00 1.213360e+00 2 CG321 CG321 OG301 CG331 9 0.000000e+00 1.799120e+00 3 CG321 CG321 OG301 CG331 9 0.000000e+00 2.384880e+00 1 CG321 CG321 OG302 CG2O2 9 0.000000e+00 0.000000e+00 3 CG321 CG321 OG311 HGP1 9 0.000000e+00 5.857600e-01 2 CG321 CG321 OG311 HGP1 9 0.000000e+00 1.004160e+00 3 CG321 CG321 OG311 HGP1 9 0.000000e+00 4.727920e+00 1 CG321 CG321 OG3C61 CG311 9 0.000000e+00 6.276000e-01 4 CG321 CG321 OG3C61 CG311 9 0.000000e+00 2.845120e+00 2 CG321 CG321 OG3C61 CG311 9 1.800000e+02 8.786400e-01 3 CG321 CG321 OG3C61 CG311 9 1.800000e+02 2.217520e+00 1 CG321 CG321 OG3C61 CG321 9 0.000000e+00 6.276000e-01 4 CG321 CG321 OG3C61 CG321 9 0.000000e+00 2.845120e+00 2 CG321 CG321 OG3C61 CG321 9 1.800000e+02 8.786400e-01 3 CG321 CG321 OG3C61 CG321 9 1.800000e+02 2.217520e+00 1 CG321 CG321 SG311 CG2O2 9 0.000000e+00 2.092000e-01 3 CG321 CG321 SG311 CG2O2 9 1.800000e+02 2.259360e+00 1 CG321 CG321 SG311 CG311 9 0.000000e+00 1.548080e+00 3 CG321 CG321 SG311 CG311 9 1.800000e+02 1.004160e+00 1 CG321 CG321 SG311 CG321 9 0.000000e+00 1.548080e+00 3 CG321 CG321 SG311 CG321 9 1.800000e+02 1.004160e+00 1 CG321 CG321 SG311 CG331 9 0.000000e+00 1.548080e+00 3 CG321 CG321 SG311 CG331 9 1.800000e+02 1.004160e+00 1 CG321 CG321 SG3O2 CG321 9 0.000000e+00 5.230000e-01 3 CG321 CG321 SG3O2 CG321 9 0.000000e+00 1.464400e+00 2 CG321 CG321 SG3O2 CG321 9 0.000000e+00 3.765600e+00 1 CG321 CG321 SG3O2 CG331 9 0.000000e+00 5.230000e-01 3 CG321 CG321 SG3O2 CG331 9 0.000000e+00 1.464400e+00 2 CG321 CG321 SG3O2 CG331 9 0.000000e+00 3.765600e+00 1 CG321 CG321 SG3O2 OG2P1 9 0.000000e+00 7.531200e-01 3 CG331 CG2O2 OG302 CG311 9 1.800000e+02 8.577200e+00 2 CG331 CG2O2 OG302 CG321 9 1.800000e+02 8.577200e+00 2 CG331 CG2O2 OG302 CG331 9 1.800000e+02 8.577200e+00 2 CG331 CG2O2 OG311 HGP1 9 1.800000e+02 8.577200e+00 2 CG331 CG2O2 SG311 CG321 9 0.000000e+00 2.490735e+00 1 CG331 CG2O2 SG311 CG321 9 1.800000e+02 1.224531e+01 2 CG331 CG311 CG311 CG331 9 1.800000e+02 2.092000e+00 4 CG331 CG311 CG311 HGA1 9 0.000000e+00 8.158800e-01 3 CG331 CG311 CG311 OG311 9 0.000000e+00 5.857600e-01 3 CG331 CG311 CG321 CG2O2 9 0.000000e+00 4.602400e-01 4 CG331 CG311 CG321 CG2O2 9 0.000000e+00 1.631760e+00 2 CG331 CG311 CG321 CG2O2 9 1.800000e+02 3.765600e-01 6 CG331 CG311 CG321 CG2O2 9 1.800000e+02 8.786400e-01 1 CG331 CG311 CG321 CG2O2 9 1.800000e+02 1.464400e+00 3 CG331 CG311 CG321 CG311 9 0.000000e+00 8.368000e-01 3 CG331 CG311 CG321 CG321 9 0.000000e+00 8.368000e-01 3 CG331 CG311 CG321 CG331 9 0.000000e+00 8.368000e-01 3 CG331 CG311 CG321 HGA2 9 0.000000e+00 8.368000e-01 3 CG331 CG311 CG321 OG301 9 0.000000e+00 8.368000e-01 3 CG331 CG311 CG321 OG302 9 0.000000e+00 8.368000e-01 3 CG331 CG311 CG321 OG311 9 1.800000e+02 8.368000e-01 3 CG331 CG311 CG331 HGA3 9 0.000000e+00 8.158800e-01 3 CG331 CG311 OG301 CG321 9 0.000000e+00 1.673600e+00 1 CG331 CG311 OG301 CG321 9 0.000000e+00 2.050160e+00 3 CG331 CG311 OG301 CG331 9 0.000000e+00 1.673600e+00 1 CG331 CG311 OG301 CG331 9 0.000000e+00 2.050160e+00 3 CG331 CG311 OG301 OG311 9 0.000000e+00 2.092000e+00 3 CG331 CG311 OG301 OG311 9 1.800000e+02 4.602400e+00 1 CG331 CG311 OG302 CG2O2 9 0.000000e+00 0.000000e+00 3 CG331 CG311 OG311 HGP1 9 0.000000e+00 7.531200e-01 2 CG331 CG311 OG311 HGP1 9 0.000000e+00 1.924640e+00 3 CG331 CG311 OG311 HGP1 9 0.000000e+00 5.564720e+00 1 CG331 CG311 SG311 CG321 9 0.000000e+00 1.548080e+00 3 CG331 CG311 SG311 CG321 9 1.800000e+02 1.004160e+00 1 CG331 CG311 SG311 CG331 9 0.000000e+00 1.548080e+00 3 CG331 CG311 SG311 CG331 9 1.800000e+02 1.004160e+00 1 CG331 CG321 CG321 CG331 9 0.000000e+00 1.597870e-01 2 CG331 CG321 CG321 CG331 9 1.800000e+02 1.329675e-01 6 CG331 CG321 CG321 HGA2 9 0.000000e+00 7.531200e-01 3 CG331 CG321 CG321 OG301 9 0.000000e+00 1.631760e+00 2 CG331 CG321 CG321 OG301 9 1.800000e+02 6.694400e-01 1 CG331 CG321 CG321 OG302 9 0.000000e+00 1.631760e+00 2 CG331 CG321 CG321 OG302 9 1.800000e+02 6.694400e-01 1 CG331 CG321 CG321 OG311 9 0.000000e+00 8.158800e-01 3 CG331 CG321 CG321 SG311 9 0.000000e+00 8.158800e-01 3 CG331 CG321 CG331 HGA3 9 0.000000e+00 6.694400e-01 3 CG331 CG321 OG301 CG311 9 0.000000e+00 1.673600e+00 1 CG331 CG321 OG301 CG311 9 0.000000e+00 2.050160e+00 3 CG331 CG321 OG301 CG321 9 0.000000e+00 1.673600e+00 1 CG331 CG321 OG301 CG321 9 0.000000e+00 2.050160e+00 3 CG331 CG321 OG301 CG331 9 0.000000e+00 1.673600e+00 1 CG331 CG321 OG301 CG331 9 0.000000e+00 2.050160e+00 3 CG331 CG321 OG302 CG2O2 9 0.000000e+00 0.000000e+00 3 CG331 CG321 OG311 HGP1 9 0.000000e+00 5.857600e-01 2 CG331 CG321 OG311 HGP1 9 0.000000e+00 1.004160e+00 3 CG331 CG321 OG311 HGP1 9 0.000000e+00 4.727920e+00 1 CG331 CG321 SG311 CG2O2 9 0.000000e+00 2.129238e+00 2 CG331 CG321 SG311 CG2O2 9 1.800000e+02 8.677616e-01 1 CG331 CG321 SG311 CG311 9 0.000000e+00 1.548080e+00 3 CG331 CG321 SG311 CG311 9 1.800000e+02 1.004160e+00 1 CG331 CG321 SG311 CG321 9 0.000000e+00 1.548080e+00 3 CG331 CG321 SG311 CG321 9 1.800000e+02 1.004160e+00 1 CG331 CG321 SG311 CG331 9 0.000000e+00 1.548080e+00 3 CG331 CG321 SG311 CG331 9 1.800000e+02 1.004160e+00 1 CG331 CG321 SG3O2 CG331 9 0.000000e+00 5.230000e-01 3 CG331 CG321 SG3O2 CG331 9 0.000000e+00 1.464400e+00 2 CG331 CG321 SG3O2 CG331 9 0.000000e+00 3.765600e+00 1 CG331 CG321 SG3O2 OG2P1 9 0.000000e+00 7.531200e-01 3 CG331 OG301 OG311 HGP1 9 0.000000e+00 5.020800e-01 3 CG331 OG301 OG311 HGP1 9 0.000000e+00 1.673600e+00 1 CG331 OG301 OG311 HGP1 9 0.000000e+00 4.811600e+00 2 HGA1 CG311 CG311 HGA1 9 0.000000e+00 8.158800e-01 3 HGA1 CG311 CG321 CG2O2 9 0.000000e+00 8.368000e-01 3 HGA1 CG311 CG321 CG311 9 0.000000e+00 8.158800e-01 3 HGA1 CG311 CG321 CG321 9 0.000000e+00 8.158800e-01 3 HGA1 CG311 CG321 CG331 9 0.000000e+00 8.368000e-01 3 HGA1 CG311 CG321 HGA2 9 0.000000e+00 8.158800e-01 3 HGA1 CG311 CG321 OG301 9 0.000000e+00 8.158800e-01 3 HGA1 CG311 CG321 OG302 9 0.000000e+00 8.158800e-01 3 HGA1 CG311 CG321 OG311 9 0.000000e+00 8.158800e-01 3 HGA1 CG311 CG321 SG311 9 0.000000e+00 8.158800e-01 3 HGA1 CG311 CG331 HGA3 9 0.000000e+00 8.158800e-01 3 HGA1 CG311 OG301 CG321 9 0.000000e+00 1.188256e+00 3 HGA1 CG311 OG301 CG321 9 0.000000e+00 1.188256e+00 3 HGA1 CG311 OG301 CG331 9 0.000000e+00 1.188256e+00 3 HGA1 CG311 OG301 OG311 9 0.000000e+00 8.368000e-01 3 HGA1 CG311 OG302 CG2O2 9 0.000000e+00 0.000000e+00 3 HGA1 CG311 OG311 HGP1 9 0.000000e+00 0.000000e+00 3 HGA1 CG311 OG3C61 CG311 9 0.000000e+00 8.158800e-01 3 HGA1 CG311 OG3C61 CG321 9 0.000000e+00 8.158800e-01 3 HGA1 CG311 SG311 CG321 9 0.000000e+00 1.171520e+00 3 HGA1 CG311 SG311 CG331 9 0.000000e+00 1.171520e+00 3 HGA2 CG321 CG321 HGA2 9 0.000000e+00 9.204800e-01 3 HGA2 CG321 CG331 HGA3 9 0.000000e+00 6.694400e-01 3 HGA2 CG321 OG301 CG311 9 0.000000e+00 1.188256e+00 3 HGA2 CG321 OG301 CG311 9 0.000000e+00 1.188256e+00 3 HGA2 CG321 OG301 CG321 9 0.000000e+00 1.188256e+00 3 HGA2 CG321 OG301 CG331 9 0.000000e+00 1.188256e+00 3 HGA2 CG321 OG302 CG2O2 9 0.000000e+00 0.000000e+00 3 HGA2 CG321 OG311 HGP1 9 0.000000e+00 7.531200e-01 3 HGA2 CG321 OG3C61 CG311 9 0.000000e+00 8.158800e-01 3 HGA2 CG321 OG3C61 CG321 9 0.000000e+00 8.158800e-01 3 HGA2 CG321 SG311 CG2O2 9 1.800000e+02 2.167312e-01 3 HGA2 CG321 SG311 CG311 9 0.000000e+00 1.171520e+00 3 HGA2 CG321 SG311 CG321 9 0.000000e+00 1.171520e+00 3 HGA2 CG321 SG311 CG331 9 0.000000e+00 1.171520e+00 3 HGA2 CG321 SG3O2 CG321 9 0.000000e+00 5.230000e-01 3 HGA2 CG321 SG3O2 CG331 9 0.000000e+00 5.230000e-01 3 HGA2 CG321 SG3O2 OG2P1 9 0.000000e+00 6.694400e-01 3 HGA3 CG331 CG331 HGA3 9 0.000000e+00 6.485200e-01 3 HGA3 CG331 OG301 CG311 9 0.000000e+00 1.188256e+00 3 HGA3 CG331 OG301 CG321 9 0.000000e+00 1.188256e+00 3 HGA3 CG331 OG301 CG331 9 0.000000e+00 1.188256e+00 3 HGA3 CG331 OG301 OG311 9 0.000000e+00 8.368000e-01 3 HGA3 CG331 OG302 CG2O2 9 0.000000e+00 0.000000e+00 3 HGA3 CG331 OG311 HGP1 9 0.000000e+00 7.531200e-01 3 HGA3 CG331 SG311 CG2O2 9 0.000000e+00 1.506240e+00 3 HGA3 CG331 SG311 CG311 9 0.000000e+00 1.171520e+00 3 HGA3 CG331 SG311 CG321 9 0.000000e+00 1.171520e+00 3 HGA3 CG331 SG3O2 CG321 9 0.000000e+00 3.556400e-01 3 HGA3 CG331 SG3O2 CG331 9 0.000000e+00 4.811600e-01 3 HGA3 CG331 SG3O2 OG2P1 9 0.000000e+00 7.531200e-01 3 HGP1 OG311 SG3O2 OG2P1 9 0.000000e+00 1.255200e+00 3 HGP1 OG311 SG3O2 OG311 9 0.000000e+00 3.765600e+00 2 HGP1 OG311 SG3O2 OG311 9 1.800000e+02 6.694400e+00 1 OG2D1 CG2O2 CG311 CG2O2 9 0.000000e+00 0.000000e+00 1 OG2D1 CG2O2 CG311 CG311 9 1.800000e+02 2.092000e-01 6 OG2D1 CG2O2 CG311 CG321 9 1.800000e+02 2.092000e-01 6 OG2D1 CG2O2 CG311 CG331 9 1.800000e+02 2.092000e-01 6 OG2D1 CG2O2 CG311 HGA1 9 0.000000e+00 0.000000e+00 3 OG2D1 CG2O2 CG311 OG301 9 0.000000e+00 0.000000e+00 2 OG2D1 CG2O2 CG311 OG302 9 0.000000e+00 0.000000e+00 2 OG2D1 CG2O2 CG311 OG311 9 1.800000e+02 2.301200e+00 2 OG2D1 CG2O2 CG321 CG311 9 1.800000e+02 0.000000e+00 6 OG2D1 CG2O2 CG321 CG321 9 1.800000e+02 2.092000e-01 6 OG2D1 CG2O2 CG321 CG331 9 1.800000e+02 2.092000e-01 6 OG2D1 CG2O2 CG321 HGA2 9 1.800000e+02 0.000000e+00 6 OG2D1 CG2O2 CG321 OG301 9 0.000000e+00 4.184000e-01 1 OG2D1 CG2O2 CG321 OG301 9 1.800000e+02 4.100320e+00 2 OG2D1 CG2O2 CG321 SG311 9 1.800000e+02 3.430880e-02 2 OG2D1 CG2O2 CG321 SG311 9 1.800000e+02 8.234112e-01 3 OG2D1 CG2O2 CG331 HGA3 9 1.800000e+02 0.000000e+00 6 OG2D1 CG2O2 OG302 CG2O2 9 1.800000e+02 4.037560e+00 1 OG2D1 CG2O2 OG302 CG2O2 9 1.800000e+02 1.610840e+01 2 OG2D1 CG2O2 OG302 CG311 9 1.800000e+02 4.037560e+00 1 OG2D1 CG2O2 OG302 CG311 9 1.800000e+02 1.610840e+01 2 OG2D1 CG2O2 OG302 CG321 9 1.800000e+02 4.037560e+00 1 OG2D1 CG2O2 OG302 CG321 9 1.800000e+02 1.610840e+01 2 OG2D1 CG2O2 OG302 CG331 9 1.800000e+02 4.037560e+00 1 OG2D1 CG2O2 OG302 CG331 9 1.800000e+02 1.610840e+01 2 OG2D1 CG2O2 OG311 HGP1 9 1.800000e+02 8.577200e+00 2 OG2D1 CG2O2 SG311 CG321 9 0.000000e+00 6.192320e-02 1 OG2D1 CG2O2 SG311 CG321 9 1.800000e+02 5.493592e-01 3 OG2D1 CG2O2 SG311 CG321 9 1.800000e+02 9.651233e+00 2 OG2D1 CG2O2 SG311 CG331 9 1.800000e+02 8.414442e+00 1 OG2D1 CG2O2 SG311 CG331 9 1.800000e+02 1.396117e+01 2 OG301 CG311 CG311 HGA1 9 0.000000e+00 8.158800e-01 3 OG301 CG311 CG311 OG311 9 0.000000e+00 8.368000e-01 3 OG301 CG311 CG311 OG3C61 9 0.000000e+00 8.368000e-01 3 OG301 CG311 CG321 CG311 9 0.000000e+00 1.631760e+00 2 OG301 CG311 CG321 CG311 9 1.800000e+02 6.694400e-01 1 OG301 CG311 CG321 CG321 9 0.000000e+00 1.631760e+00 2 OG301 CG311 CG321 CG321 9 1.800000e+02 6.694400e-01 1 OG301 CG311 CG321 CG331 9 0.000000e+00 1.631760e+00 2 OG301 CG311 CG321 CG331 9 1.800000e+02 6.694400e-01 1 OG301 CG311 CG321 HGA2 9 0.000000e+00 8.158800e-01 3 OG301 CG311 CG321 OG301 9 0.000000e+00 8.368000e-01 3 OG301 CG311 CG321 OG302 9 0.000000e+00 8.368000e-01 3 OG301 CG311 CG321 OG311 9 0.000000e+00 8.368000e-01 3 OG301 CG311 CG331 HGA3 9 0.000000e+00 6.694400e-01 3 OG301 CG311 OG311 HGP1 9 0.000000e+00 4.476880e+00 3 OG301 CG311 OG311 HGP1 9 0.000000e+00 4.895280e+00 2 OG301 CG311 OG311 HGP1 9 0.000000e+00 6.485200e+00 1 OG301 CG311 OG3C61 CG321 9 0.000000e+00 8.368000e-01 3 OG301 CG321 CG321 HGA2 9 0.000000e+00 7.949600e-01 3 OG301 CG321 CG321 OG301 9 0.000000e+00 5.188160e+00 2 OG301 CG321 CG321 OG301 9 1.800000e+02 1.046000e+00 1 OG301 CG321 CG321 OG302 9 0.000000e+00 5.188160e+00 2 OG301 CG321 CG321 OG302 9 1.800000e+02 1.046000e+00 1 OG301 CG321 CG321 OG311 9 0.000000e+00 5.188160e+00 2 OG301 CG321 CG321 OG311 9 1.800000e+02 1.046000e+00 1 OG301 CG321 CG321 SG311 9 0.000000e+00 3.347200e+00 3 OG301 CG321 CG321 SG3O2 9 0.000000e+00 5.004064e-01 3 OG301 CG321 CG321 SG3O2 9 1.800000e+02 7.282670e+00 1 OG301 CG321 CG331 HGA3 9 0.000000e+00 6.694400e-01 3 OG302 CG2O2 CG311 CG2O2 9 0.000000e+00 0.000000e+00 1 OG302 CG2O2 CG311 CG311 9 1.800000e+02 2.092000e-01 6 OG302 CG2O2 CG311 CG321 9 1.800000e+02 2.092000e-01 6 OG302 CG2O2 CG311 CG331 9 1.800000e+02 2.092000e-01 6 OG302 CG2O2 CG311 HGA1 9 0.000000e+00 0.000000e+00 1 OG302 CG2O2 CG311 OG301 9 1.800000e+02 2.092000e-01 6 OG302 CG2O2 CG311 OG302 9 1.800000e+02 2.092000e-01 6 OG302 CG2O2 CG311 OG311 9 0.000000e+00 4.184000e-01 6 OG302 CG2O2 CG311 OG311 9 1.800000e+02 1.673600e+00 2 OG302 CG2O2 CG321 CG311 9 1.800000e+02 2.217520e+00 2 OG302 CG2O2 CG321 CG321 9 1.800000e+02 2.217520e+00 2 OG302 CG2O2 CG321 CG331 9 1.800000e+02 -6.276000e-01 1 OG302 CG2O2 CG321 HGA2 9 0.000000e+00 0.000000e+00 3 OG302 CG2O2 CG321 OG301 9 1.800000e+02 4.184000e-01 1 OG302 CG2O2 CG321 OG301 9 1.800000e+02 4.100320e+00 2 OG302 CG2O2 CG321 SG311 9 0.000000e+00 5.581456e-01 3 OG302 CG2O2 CG321 SG311 9 0.000000e+00 6.885190e+00 1 OG302 CG2O2 CG321 SG311 9 1.800000e+02 3.999904e+00 2 OG302 CG2O2 CG331 HGA3 9 0.000000e+00 0.000000e+00 3 OG302 CG311 CG321 CG2O2 9 0.000000e+00 8.368000e-01 3 OG302 CG311 CG321 CG311 9 0.000000e+00 8.158800e-01 3 OG302 CG311 CG321 CG321 9 0.000000e+00 8.158800e-01 3 OG302 CG311 CG321 CG331 9 0.000000e+00 1.631760e+00 2 OG302 CG311 CG321 CG331 9 1.800000e+02 6.694400e-01 1 OG302 CG311 CG321 HGA2 9 0.000000e+00 8.158800e-01 3 OG302 CG311 CG321 OG301 9 0.000000e+00 8.368000e-01 3 OG302 CG311 CG321 OG302 9 0.000000e+00 8.368000e-01 3 OG302 CG311 CG321 OG311 9 0.000000e+00 8.368000e-01 3 OG302 CG311 CG331 HGA3 9 0.000000e+00 8.368000e-01 3 OG302 CG311 OG302 CG2O2 9 1.800000e+02 2.928800e+00 1 OG302 CG311 OG311 HGP1 9 0.000000e+00 4.476880e+00 3 OG302 CG311 OG311 HGP1 9 0.000000e+00 4.895280e+00 2 OG302 CG311 OG311 HGP1 9 0.000000e+00 6.485200e+00 1 OG302 CG321 CG321 HGA2 9 0.000000e+00 8.158800e-01 3 OG302 CG321 CG321 OG302 9 0.000000e+00 5.188160e+00 2 OG302 CG321 CG321 OG302 9 1.800000e+02 1.046000e+00 1 OG302 CG321 CG321 OG311 9 0.000000e+00 8.368000e-01 3 OG302 CG321 CG331 HGA3 9 0.000000e+00 8.158800e-01 3 OG311 CG2O2 CG311 CG311 9 1.800000e+02 2.092000e-01 6 OG311 CG2O2 CG311 CG321 9 1.800000e+02 2.092000e-01 6 OG311 CG2O2 CG311 CG331 9 1.800000e+02 2.092000e-01 6 OG311 CG2O2 CG311 HGA1 9 1.800000e+02 2.092000e-01 6 OG311 CG2O2 CG311 OG301 9 1.800000e+02 0.000000e+00 6 OG311 CG2O2 CG311 OG302 9 1.800000e+02 0.000000e+00 6 OG311 CG2O2 CG311 OG311 9 1.800000e+02 1.924640e+00 2 OG311 CG2O2 CG321 CG311 9 1.800000e+02 0.000000e+00 6 OG311 CG2O2 CG321 CG321 9 1.800000e+02 0.000000e+00 6 OG311 CG2O2 CG321 CG331 9 1.800000e+02 0.000000e+00 6 OG311 CG2O2 CG321 HGA2 9 1.800000e+02 0.000000e+00 6 OG311 CG2O2 CG321 OG301 9 1.800000e+02 7.112800e-01 1 OG311 CG2O2 CG321 OG301 9 1.800000e+02 1.924640e+00 2 OG311 CG2O2 CG331 HGA3 9 1.800000e+02 0.000000e+00 6 OG311 CG311 CG311 HGA1 9 0.000000e+00 8.158800e-01 3 OG311 CG311 CG311 OG311 9 0.000000e+00 8.368000e-01 3 OG311 CG311 CG311 OG3C61 9 0.000000e+00 8.368000e-01 3 OG311 CG311 CG321 CG311 9 0.000000e+00 1.673600e+00 5 OG311 CG311 CG321 CG311 9 0.000000e+00 3.347200e+00 6 OG311 CG311 CG321 CG311 9 1.800000e+02 8.368000e+00 3 OG311 CG311 CG321 CG321 9 0.000000e+00 1.673600e+00 3 OG311 CG311 CG321 CG321 9 0.000000e+00 1.673600e+00 5 OG311 CG311 CG321 CG321 9 0.000000e+00 2.928800e+00 2 OG311 CG311 CG321 CG321 9 1.800000e+02 2.092000e+00 1 OG311 CG311 CG321 CG331 9 0.000000e+00 5.857600e-01 3 OG311 CG311 CG321 HGA2 9 1.800000e+02 8.158800e-01 3 OG311 CG311 CG321 OG301 9 0.000000e+00 8.368000e-01 3 OG311 CG311 CG321 OG311 9 0.000000e+00 8.368000e-01 3 OG311 CG311 CG321 SG311 9 0.000000e+00 5.004064e-01 3 OG311 CG311 CG321 SG311 9 1.800000e+02 7.282670e+00 1 OG311 CG311 CG331 HGA3 9 0.000000e+00 8.368000e-01 3 OG311 CG311 OG301 CG321 9 0.000000e+00 2.092000e-01 3 OG311 CG311 OG301 CG321 9 0.000000e+00 3.723760e+00 2 OG311 CG311 OG301 CG321 9 1.800000e+02 1.715440e+00 1 OG311 CG311 OG302 CG2O2 9 1.800000e+02 2.928800e+00 1 OG311 CG311 OG311 HGP1 9 0.000000e+00 1.163570e+00 3 OG311 CG311 OG311 HGP1 9 0.000000e+00 4.413702e+00 2 OG311 CG311 OG311 HGP1 9 0.000000e+00 7.673038e+00 1 OG311 CG311 OG3C61 CG311 9 0.000000e+00 8.368000e-01 3 OG311 CG311 SG311 CG321 9 1.800000e+02 1.479881e+00 2 OG311 CG311 SG311 CG321 9 1.800000e+02 1.966898e+00 1 OG311 CG311 SG311 CG321 9 1.800000e+02 7.115310e+00 3 OG311 CG311 SG311 CG331 9 0.000000e+00 5.818270e+00 3 OG311 CG311 SG311 CG331 9 1.800000e+02 2.623786e+00 1 OG311 CG321 CG321 HGA2 9 0.000000e+00 8.158800e-01 3 OG311 CG321 CG321 OG311 9 0.000000e+00 8.368000e-01 3 OG311 CG321 CG321 SG311 9 0.000000e+00 5.004064e-01 3 OG311 CG321 CG321 SG311 9 1.800000e+02 7.282670e+00 1 OG311 CG321 CG331 HGA3 9 0.000000e+00 6.694400e-01 3 OG311 CG321 SG311 CG321 9 0.000000e+00 2.192416e-01 1 OG311 CG321 SG311 CG321 9 0.000000e+00 2.585712e+00 3 OG311 CG321 SG311 CG321 9 0.000000e+00 5.529156e+00 2 OG3C61 CG311 CG311 HGA1 9 0.000000e+00 8.158800e-01 3 OG3C61 CG311 CG321 CG321 9 0.000000e+00 2.510400e+00 3 OG3C61 CG311 CG321 CG321 9 1.800000e+02 3.347200e-01 4 OG3C61 CG311 CG321 CG321 9 1.800000e+02 7.949600e-01 1 OG3C61 CG311 CG321 CG321 9 1.800000e+02 4.184000e+00 2 OG3C61 CG311 CG321 HGA2 9 0.000000e+00 8.158800e-01 3 OG3C61 CG311 OG311 HGP1 9 0.000000e+00 2.680689e+00 3 OG3C61 CG311 OG311 HGP1 9 0.000000e+00 9.400611e+00 2 OG3C61 CG321 CG321 HGA2 9 0.000000e+00 8.158800e-01 3 OG3C61 CG321 CG321 OG3C61 9 0.000000e+00 8.158800e-01 3 OG3C61 CG321 OG3C61 CG321 9 0.000000e+00 4.184000e+00 3 SG311 CG2O2 CG321 CG321 9 0.000000e+00 2.685291e+00 1 SG311 CG2O2 CG321 CG321 9 1.800000e+02 2.217938e+00 2 SG311 CG2O2 CG321 CG321 9 1.800000e+02 1.556281e+01 3 SG311 CG2O2 CG321 CG331 9 0.000000e+00 2.685291e+00 1 SG311 CG2O2 CG321 CG331 9 1.800000e+02 2.217938e+00 2 SG311 CG2O2 CG321 CG331 9 1.800000e+02 1.556281e+01 3 SG311 CG2O2 CG321 HGA2 9 0.000000e+00 7.152548e+00 3 SG311 CG2O2 CG331 HGA3 9 1.800000e+02 8.079304e-01 2 SG311 CG311 CG321 CG321 9 0.000000e+00 8.158800e-01 3 SG311 CG311 CG321 HGA2 9 0.000000e+00 4.184000e-02 3 SG311 CG311 CG331 HGA3 9 0.000000e+00 6.694400e-01 3 SG311 CG311 OG311 HGP1 9 0.000000e+00 3.828360e+00 3 SG311 CG311 OG311 HGP1 9 0.000000e+00 5.151759e+00 1 SG311 CG321 CG321 HGA2 9 0.000000e+00 4.184000e-02 3 SG311 CG321 CG321 SG311 9 0.000000e+00 4.184000e-01 3 SG311 CG321 CG321 SG3O2 9 0.000000e+00 4.184000e-01 3 SG311 CG321 CG331 HGA3 9 0.000000e+00 6.694400e-01 3 SG311 CG321 OG301 CG321 9 0.000000e+00 1.213360e+00 2 SG311 CG321 OG301 CG321 9 0.000000e+00 1.799120e+00 3 SG311 CG321 OG301 CG321 9 0.000000e+00 2.384880e+00 1 SG311 CG321 OG311 HGP1 9 0.000000e+00 2.573578e+00 3 SG311 CG321 OG311 HGP1 9 0.000000e+00 3.229211e+00 1 SG311 CG321 OG311 HGP1 9 0.000000e+00 4.270190e+00 2 SG311 CG321 SG311 CG321 9 0.000000e+00 5.439200e+00 3 SG3O2 CG321 CG321 HGA2 9 0.000000e+00 4.184000e-02 1 SG3O2 CG321 CG331 HGA3 9 0.000000e+00 3.221680e-01 3 [ dihedraltypes ] ; i j k l func q0 cq CG2O2 CG311 OG2D1 OG302 2 0.000000e+00 5.188160e+02 CG2O2 CG311 OG2D1 OG311 2 0.000000e+00 5.439200e+02 CG2O2 CG321 OG2D1 OG302 2 0.000000e+00 5.188160e+02 CG2O2 CG321 OG2D1 OG311 2 0.000000e+00 5.439200e+02 CG2O2 CG321 OG2D1 SG311 2 0.000000e+00 5.547490e+02 CG2O2 CG331 OG2D1 OG302 2 0.000000e+00 5.188160e+02 CG2O2 CG331 OG2D1 OG311 2 0.000000e+00 5.439200e+02 CG2O2 CG331 OG2D1 SG311 2 0.000000e+00 4.080580e+02