[gmx-users] clustered structures

Shradheya R.R. Gupta shradheyagupta at gmail.com
Fri Nov 15 21:38:29 CET 2019


Hi,
After simulation I used gmx cluster which generated 20 structures in a
single pdb file.Now  I am confused, what to do next. Take average of all
the generated structures or use a single cluster.

If to select average structure then how? If to select a single cluster then
how?

Thank you
Shradheya Gupta
DBT-BIF, University of Rajasthan


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