[gmx-users] What is the meaning of the sentence in my md.log file?
gmx3 at hotmail.com
Fri Jul 16 17:05:24 CEST 2004
>When I did the BD or SD the following sentences came out in my md.log, what
>is the meaning? Were there something wrong in my process?
>Large VCM(group rest): -0.00970, -0.05767, -0.00685, ekin-cm:
>Large VCM(group rest): -0.07583, -0.03487, 0.04020, ekin-cm:
VCM means center of mass velocity.
For BD you can probably ignore this.
For SD I guess your friction constant is so high that the system is
so you could just as well use BD.
But for BD and SD you do not need center of mass motion removal,
so you can set:
comm_mode = no
in your mdp file.
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