[gmx-users] fix center of mass vs fix residues close to COM
yuanyuan3201003 at 163.com
Sun Nov 28 13:25:44 CET 2010
I am doing a simluation that I want to fix the center of mass of three protein chains , so that they don`t move to much away , should I fix center of mass of every chains, or fix residues that most close to COM. what is the diffenerces between the two method? and if I want to fix center of mass, what should I do? change comm_grps= chain_a chain_b chain_c SOL , comm_mode = Angular ? should I change other places?
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