[gmx-users] convergence of PMF

abhisek Mondal 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.

Thank you.

Abhisek Mondal

*Senior Research Fellow*

*Structural Biology and Bioinformatics Division*
*CSIR-Indian Institute of Chemical Biology*

*Kolkata 700032*


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