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

[Yang Ye]

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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