[gmx-users] Pdb file

[Sunil Ghimire]

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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