[gmx-users] about PMF calculation

mircial at sjtu.edu.cn mircial at sjtu.edu.cn
Thu Jun 4 07:56:51 CEST 2009

Dear All:

      I want to do some PMF (Potenial of Mean Force) calculation by  
AFM pulling method using the pull code to study the unbinding of a  
protein and a ligand.

      I want pull the ligand from its binding site and calculate the  
PMF of the procedure, does it possible?

      I have read the user manual about PMF calculation carefully, but  
still not clear how to do . Does anyone have any tutorial about how to  
do this kind of calculation or any published papers doing this things?  
anyhelp is greatly appreciate!

                Best Wishes
                                     R-X Gu

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