Reply – Potential Mean Force Calculation
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Potential Mean Force Calculation
— by Mark F Mark F
Greetings,

I was wonder if there's some way to determine the PMF between to molecules along a specific reaction coordinate of interest using the Geometry-Distance-Restain tool? How can I program Abalone to, for example, automatically perform a 0.1A adjustment to the restraint every so many MD time steps?

Thanks
Mark