[gmx-users] NVT .gro for NPT

[Tsjerk Wassenaar]

Hi Maggin,

Why would that be a problem?

Tsjerk



On Mon, Jun 17, 2013 at 7:28 AM, maggin <maggin.chen at gmail.com> wrote:

> Hi, all
>
> I run a small peptide, and after NVT, I got the XXX.gro file like this,
>
> <http://gromacs.5086.x6.nabble.com/file/n5009205/next6_gro.bmp>
>
> because the peptide not at the center of box, I use this .gro to run NPT,
> if
> it reasonable?
>
> If it's not good, how can I avoid such phenomenon?
>
> Thank you very much!
>
> maggin
>
>
>
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-- 
Tsjerk A. Wassenaar, Ph.D.