[gmx-users] PMF Calculations

Arneh Babakhani ababakha at mccammon.ucsd.edu
Mon Jul 24 19:25:43 CEST 2006


Hello,

Can someone please describe the general procedure for PMF (potential of 
mean force) calculations using GROMACS? Is there an analysis tool for 
this (I didn't see one), or a combination of tools?  (Please note: I'm 
not asking for details.  I'm just seeking a general method for 
calculating PMF. I can work out the details, I'm just not sure where to 
begin!).

Thank you kindly,

Arneh



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