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
