[gmx-users] how to cluster protein conformations obtained from different trajectories?

[rajat punia]

Thanks, it worked.

On Wed, 9 Oct 2019 at 17:46, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 10/9/19 5:44 AM, rajat punia wrote:
> > Hi everyone,
> > I have 2000 conformations (.gro files) of a protein obtained from 2000
> > different MD trajectories.
> > I want to do cluster analysis on these conformations. How can i do the
> same
> > using GROMACS?
>
> Use trjcat to make a pseudo-trajectory and run gmx cluster.
>
> -Justin
>
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-- 
*Regards,*
*Rajat Punia*
*PhD Chemical Engineering*
*IIT Delhi*
*+91-9821210386*