[gmx-users] PROTEIN FOLDING
nehaphysics17 at gmail.com
Thu Apr 6 08:55:58 CEST 2017
Hi gromacs users,
I have run 2ns simulation of protein ligand complex using NVT ensemble
I want to know whether there is a structural/conformational change in the
protein especially in the active site where, the ligand forms hydrogen
bonds with the protein during simulation.
Can we visualize it? Is it possible?
Please let me know.
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