[gmx-users] ED - Projecting on an eigenvector

Sarath Chandra Dantu dsarath at gwdg.de
Fri Jun 24 22:31:18 CEST 2011


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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