[gmx-users] fix center of mass vs fix residues close to COM

哦哦 yuanyuan3201003 at 163.com
Sun Nov 28 13:25:44 CET 2010

dear all,
          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?
        best wishes~
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