[gmx-users] convergence of PMF
abhisek.mndl at gmail.com
Thu Nov 16 09:34:52 CET 2017
I have derived a PMF (protein-ligand) using umbrella sampling method.
But how can I comment if the obtained PMF has converged well ? What are the
ways to check the convergence of a PMF ?
Please help me out here.
*Senior Research Fellow*
*Structural Biology and Bioinformatics Division*
*CSIR-Indian Institute of Chemical Biology*
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