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

[tuyusong]

> 
> You can opt for 3).
> 
> If  your system only compose of nanotube and water, why freeze it?

Thank Yang Ye, we are doing some tests on effects of T-coupling caused by
removing COM in the system with freeze groups
Regards, 
Yusong

> 
> 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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