[gmx-users] [gmx-user] advantage of charmm force field over opls for protein md simulation and protein+Inhibitor md simulation
Quin K
profiles.ke at gmail.com
Sun Aug 25 22:55:33 CEST 2019
Hi,
1. Are there any advantages of charmm forcefield over opls-all atom ff, for
protein md simulation and protein+Inhibitor md simulation?
2. Where can i find parameter files (.mdp files) for charmm 22 forcefield
for gromacs?
3. Can CHARMM27 all-atom force field (CHARM22 plus CMAP for proteins) be
used for point 1 above.?
If not how to have charmm 22 as an option for topology file generation?
Thank you very much.
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