[gmx-users] Center of mass motion removal

[Tsjerk Wassenaar]

Hi Tuong Vy,

Right. If COMM is removed every N steps and the simulation runs for M < N
steps, then COMM will never actually be removed.

Cheers,

Tsjerk
On Jun 3, 2015 4:44 AM, "Vy Phan" <phanvy120690 at gmail.com> wrote:

> Dear all,
> I wonder when I set the comm-mode =Linear , and nstcomm
> (frequency for COM motion removal)  > nststeps (maxinum number of steps),
> the MD simulation can be performed.
>
> I think the nstcomm > nsteps mean COM motion is not removed (the MD
> simulation can be not performed)
> Could somebody explain to me ?
>
> Tuong Vy
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