[gmx-users] PMF using constraints

Gavin Melaugh gmelaugh01 at qub.ac.uk
Mon Jan 17 15:58:30 CET 2011

Hi all

A quick question. I want to compare a PMF curve generated using umbrella
sampling with one using constraints.
To use constraints do I use the exact same set up in the .mdp file but
change pull = constraints.

Many Thanks


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