[gmx-users] frozen group, pull code and COM motion removal

钩深致远 goushenzhiyuan at gmail.com
Sun Sep 9 17:19:58 CEST 2007


Hi all,

Recently, I performed a simulation which have three groups: frozen group
(there's no connections with the other groups), free group (peptide), mobile
group (using AFM pulling of the pull code) . How should I set the comm._mode
and comm _grps in the mdp file?
 Thanks,
 Xiu Peng.
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