[gmx-users] em.gro file doesnt show a reasonable structure in VMD

faride badalkhani farideh.khamseh at gmail.com
Tue Aug 25 13:51:29 CEST 2015


Hi,

Thanks for the answer. I have shred the files via dropbox:
https://www.dropbox.com/sh/bgcnpwrbvj7ocxg/AAAFKNlpEs5BREDmFPWoUfGma?dl=0

Truly yours,
Farideh

On Tue, Aug 25, 2015 at 3:21 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> Not with that little information. Is the starting structure reasonable?
> Upload a screenshot to a file sharing service and show us what you think is
> unreasonable :-)
>
> Mark
>
> On Tue, Aug 25, 2015 at 12:16 PM faride badalkhani <
> farideh.khamseh at gmail.com> wrote:
>
> > Dear gmx users,
> >
> > I have perform an energy minimization on my system and the potential per
> > step plot has a normal appearance, but the em.gro file doesn't show a
> > reasonable structure in VMD. Could you tell me why this happened?
> >
> >
> > Regards,
> > Farideh
> > --
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