[gmx-users] ED - Projecting on an eigenvector

Kavyashree M hmkvsri at gmail.com
Sat Jun 25 07:06:38 CEST 2011


Sir,

Yes exactly I did the same. I will try with this option now.
Thanks.

With Regards
M. Kavyashree

On Sat, Jun 25, 2011 at 2:01 AM, Sarath Chandra Dantu <dsarath at gwdg.de>wrote:

> I suppose you are writing a extr.pdb form g_anaeig. Try writing down extr.
> xtc and load it onto a pdb/gro using vmd. Then it should not be a problem.
>
> Best Wishes,
>
> Sarath
>
> > Did you make the molecules whole and removed jumps (in case of a
> multimer)
> > prior to filtering?
> >
> > Cheers,
> >
> > Tsjerk
> >
> > On Jun 24, 2011 8:10 PM, "Kavyashree M" <hmkvsri at gmail.com> wrote:
> >
> > Dear user,
> >
> > When projection of a trajectory (50ns) on an eigen vector
> > was visualised in pymol, there was broken chains, but when
> > I projected the simulation (continued for 50 more ns ie.,
> > total 100ns) this broken chain was not seen why?
> >
> > Thanking you
> > With Regards
> > M. Kavyashree
> >
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