[gmx-users] NVT .gro for NPT
tsjerkw at gmail.com
Mon Jun 17 07:53:22 CEST 2013
Why would that be a problem?
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,
> because the peptide not at the center of box, I use this .gro to run NPT,
> it reasonable?
> If it's not good, how can I avoid such phenomenon?
> Thank you very much!
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Tsjerk A. Wassenaar, Ph.D.
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