[gmx-users] Cluster Analysis

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Sep 29 12:10:32 CEST 2016

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,


On Thu, Sep 29, 2016 at 9:05 AM, Sanket Ghawali <sanket.ghawali at gmail.com>

> 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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