[gmx-users] convergence of PMF

[abhisek Mondal]

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.


-- 
Abhisek Mondal

*Senior Research Fellow*

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

*Kolkata 700032*

*INDIA*