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

[Justin Lemkul]

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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Justin A. Lemkul, Ph.D.
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