[gmx-users] Pdb file

[sujithkakkat .]

Hello,

 I guess it is not unusual for gaseous systems to have positive energy. I
hope that the Fmax criteria is satisfied.

Sujith.

On Wed, Aug 12, 2015 at 10:30 AM, Sunil Ghimire <ghimiresunil48 at gmail.com>
wrote:

> I mean potential energy of system (1600 argon atoms) is positive after
> energy mininization .
> On 12 Aug 2015 16:58, "Vitaly V. Chaban" <vvchaban at gmail.com> wrote:
>
> > L_BFGS
> >
> >
> >
> >
> > On Tue, Aug 11, 2015 at 11:37 PM, Sunil Ghimire
> > <ghimiresunil48 at gmail.com> wrote:
> > > I created the pdb file by genconf but the system was not minimized, i
> got
> > > positive potential energy. What may be the problem?
> > > On 11 Aug 2015 19:38, "Mark Abraham" <mark.j.abraham at gmail.com> wrote:
> > >
> > >> Hi,
> > >>
> > >> gmx genconf on a small box with a single argon is a useful starting
> > point.
> > >>
> > >> Mark
> > >>
> > >> On Tue, Aug 11, 2015 at 3:16 PM Sunil Ghimire <
> ghimiresunil48 at gmail.com
> > >
> > >> wrote:
> > >>
> > >> > How can  i create the .pdb file for 1600 atoms of argon ?
> > >> > --
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