PMF calculations

From: Eoin Galligan <>
Date: Tue 19 Jun 2001 11:58:26 +0100

Dear all,

I have conducted simulations where I pull a ligand out of its binding site. I need to obtain the free energy of the system as a function of the pull ie similar to PMF.Is it possible to use the functionality of PMF on the trajectories of my simulation? Many Thanks

With Regards, E.Galligan

Received on Tue Jun 19 2001 - 03:58:26 PDT
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