[gmx-users] position restraints
gurunath.katagi at gmail.com
Wed Feb 5 14:38:22 CET 2014
I am doing a simulation of a protein using gromacs with charmm forcefields.
>From the crystallographic analysis, it is found that certain residues are
rigid and few are flexible. I want to apply restraints on these rigid
Can anyone let me know how can I apply restrains on only these rigid
residues, so that do dont move much during simulation and leave other
residues without any restraints..
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