[gmx-users] convergence of PMF

[Peter Kroon]

Hi,


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


Peter


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.
>
>