[gmx-users] force calculations in PMF calculations

deepak bapat dubapat at gmail.com
Tue Jan 3 07:37:44 CET 2017


Dear Gromacs users

I had a doubt regarding pull code.

Which force values are considered while calculations? ensemble average
values of the entire system or the forces acting on the group/atoms under
consideration.

Regards

-- 
Deepak U. Bapat


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