[gmx-users] PMF Calculations

[David van der Spoel]

Arneh Babakhani wrote:
> 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!).
> 
maybe you want to check the section about AFM pulling in the manual.


> Thank you kindly,
> 
> Arneh
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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