[gmx-users] convergence of PMF

Peter Kroon p.c.kroon at rug.nl
Thu Nov 16 11:23:57 CET 2017


you can check whether the forces of the windows (pullf.xvg files) have


On 16-11-17 09:34, abhisek Mondal wrote:
> Hi,
>     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.

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