[gmx-users] How to fix RMSD cutoff in clustering

Seera Suryanarayana palusoori at gmail.com
Wed Sep 28 20:07:21 CEST 2016

Dear gromacs users,

After my 100ns simulation I want to do clustering. When I look into
the gromacs functions I got gmx cluster. This function do clustering
based on RMSD cutoff. I searched literature for how to fix RMSD
cutoff. I could not find it. Kindly tell me on which criteria we can
fix the RMSD cutoff in gmx cluster.

Thanks in advance
Graduate student

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