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Installation error GMX+CP2K on CRAY
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5
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130
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November 6, 2022
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Gromacs 2021 + cp2k
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2
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91
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October 25, 2022
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Molecular Dynamics simulation of electrons
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1
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84
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October 25, 2022
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Error compiling gromacs 2022.2 with CP2K 9.1
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2
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112
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October 25, 2022
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Want to know about some options in md parameter file
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1
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54
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October 25, 2022
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QM/MM installation
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1
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63
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October 25, 2022
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Checkpoint file during QM/MM simulation using GROMACS/CP2K
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2
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27
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October 24, 2022
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Warning 'QMMMscheme' and 'MMChargeScaleFactor'
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2
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381
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October 18, 2022
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Need a help in QM/MM MD simulation
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2
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68
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October 18, 2022
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GROMACS+CP2K Single vs Double Precision
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2
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134
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April 5, 2022
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QMMM with Gaussian
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1
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138
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April 5, 2022
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Ligand parameterisation for CHARMM FF with CP2K
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1
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149
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April 5, 2022
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GROMACS 2022+CP2K with GPU
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2
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221
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March 29, 2022
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GROMACS 2022+CP2K 8.2 installation problem
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2
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403
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March 22, 2022
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Nvt.tpr -I couldn't manage my nvt.tpr
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2
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166
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March 16, 2022
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In QM / MM simulation, is it enough to define CNT as a quantum part to see the interaction of pi-cat
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0
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72
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January 27, 2022
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QMMM with Mopac or CPMD
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4
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300
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December 15, 2021
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Building Gromacs with MiMic QM/MM
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2
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514
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March 23, 2021
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Can I study chemical reactions using the QM/MM implemented in Gromacs?
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2
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203
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March 18, 2021
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