[gmx-users] PMF Calculations

David van der Spoel spoel at xray.bmc.uu.se
Mon Jul 24 21:37:17 CEST 2006

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
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the www 
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

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

More information about the gromacs.org_gmx-users mailing list