GROMACS version: 4.5
GROMACS modification: Yes/No
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I have assigned a protein and then I used the chemical shift assignments of the protein to get the dihedral angles via TALOSN. the TALOSN has generated the dihedral angles in this format
VARS RESID RESNAME PHI PSI DPHI DPSI DIST S2 COUNT CS_COUNT CLASS
FORMAT %4d %s %8.3f %8.3f %8.3f %8.3f %8.3f %5.3f %2d %2d %s
60 W -61.431 -49.237 5.066 6.812 0.372 0.852 25 8 Strong
61 P -63.981 -32.986 4.337 3.758 0.337 0.849 25 8 Strong
62 V -65.183 -42.686 3.571 4.640 0.231 0.864 25 8 Strong
63 F -64.574 -42.691 4.651 5.083 0.221 0.886 25 8 Strong
64 F -64.075 -43.556 4.696 2.751 0.208 0.900 25 8 Strong
Now I want to change this format to GROMACS format so I can use these experimental dihedral angles as a restraint. Does anyone have a script that can change the TALOSN format for dihedral angles to the format for GROMACS? is there anyway to do this or I have to manually change the format from TALOSN to GROMACS format?