Thanks Hai,
That worked, but when I load the trajectory, it's a ridiculous mess. Still
not sure what's wrong. thoughts?
On Mon, Apr 22, 2013 at 3:15 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> Have you tried loading inpcrd as a restart file into VMD?
>
> Hai
>
>
> On Mon, Apr 22, 2013 at 11:50 AM, Jonathan Gough <
> jonathan.d.gough.gmail.com
> > wrote:
>
> > Dear peoples,
> >
> > I took a pdb, cleaned it up. loaded it into leap, saved a pdb, saved the
> > inpcrd and prmtop files.
> >
> > When I load the pdb, everything is fine. when I lod the inpcrd and
> prmtop,
> > it looks like a single Nitrogen is stretched out into infinity...
> >
> > I can't seem to figure out what the deal is. obviously (maybe)
> attempting
> > minimization or heating or anything else makes a huge mess.
> >
> > Does anyone have any insight as to where I am making the mistake?
> >
> > I can provide lots more details if it's not an obvious error.
> >
> > Thank,
> > Jonathan
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Received on Mon Apr 22 2013 - 13:00:02 PDT
