[gmx-users] how to make choices of COM in the system with freeze group
tuyusong at gmail.com
Tue Apr 15 23:05:41 CEST 2008
I have a system with one carbon Nanotube and lots of water, in which
Nanotube is frozen. How do I remove the center-of-mass:
1) only remove the COM of SOL
2) remove both COM of SOL and CNT, separately
2) only remove the COM of "system" as a whole.
How do I make the choices?
Thank you very much!!!
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