[gmx-users] how to make choices of COM in the system with freeze group?
tuyusong at gmail.com
Wed Apr 16 16:26:10 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
3) only remove the COM of "system" as a whole.
4) do not use any COM
How do I make the choices?
I use gromacs program 3.3.3
Thank you very much!!!
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