ptraj
On Wed, Aug 27, 2008 at 8:45 PM, Sasha Buzko <obuzko.ucla.edu> wrote:
> Hi all,
> could you possibly suggest an existing piece of software to run clustering
> of frames in a trajectory (by mutual RMSD). We are trying to get an estimate
> of which conformations of a protein are prevalent and how much time the
> protein spends in each conformational group (within some rmsd tolerance).
>
> Thanks for any hints
>
> Sasha
>
>
> Urszula Uciechowska wrote:
>
> Dear Amber users,
>
> I am trying to use ptraj (amber 9) to analysis LES trajectoreis but I am
> getting only one traj file (I
> made 5 copies) I appreciate very much if somebody could tell me how to do
> this properly with ptraj or
> maybe there are other possibilities?
>
> thanks in advance
> Urszula
>
>
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Received on Sun Aug 31 2008 - 06:07:19 PDT
