You can opt for 3).
If your system only compose of nanotube and water, why freeze it?
Regards,
Yang Ye
tuyusong wrote:
Hi, all,
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!!!
Yusong.
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