[gmx-users] how to make choices of COM in the system with freeze group?

[tuyusong]

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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