[gmx-users] Cluster Analysis

[Mark Abraham]

... and you can get that file written by gmx cluster.

Mark

On Thu, Sep 29, 2016 at 12:10 PM Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:

> Hi Sanket,
>
> gmx trjconv allows writing frames based on a frame index file or using a
> xvg file and threshold. Check the help of trjconv on it.
>
> Hope it helps,
>
> Tsjerk
>
> On Thu, Sep 29, 2016 at 9:05 AM, Sanket Ghawali <sanket.ghawali at gmail.com>
> wrote:
>
> > Dear, gmx-users,
> >
> > I performed a cluster analysis using gmx cluster. I found a total of 178
> > clusters with the highest cluster having 63 members. I wish to save these
> > members to a .trr or .pdb file in order to perform analysis on all these
> > members as a whole and not on the representative structure which is
> > generated using the -cl option.
> >
> > Any suggestions on how to go about doing this?
> >
> >
> > Thanks,
> >
> > Sanket
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>
>
> --
> Tsjerk A. Wassenaar, Ph.D.
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