PMF calculations

From: Eoin Galligan <paxeg_at_nottingham.ac.uk>
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

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