[gmx-users] PMF Calculations

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


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 

Thank you kindly,


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