[gmx-users] PMF calculation between protein and ligand

Arunima Shilpi writetoash28 at gmail.com
Thu May 2 06:53:39 CEST 2013


I have query as to how to go ahead for potential mean force (PMF)
calculation between protein and ligand. As per the umbrella sampling
protocol you have provided us in gromacs tutotrial it says it is for
protein molecules...


Thanking You with Regards.

Arunima Shilpi

Ph. D Research Scholar(Cancer & Epigenetics)
Department of Life Science
National Institute of Technology

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