[gmx-users] Using umbrella sampling at constant force
msanku65 at yahoo.com
Wed Oct 17 17:01:28 CEST 2012
I am trying to compute free energy of a polymer in presence of a constant force.
If I understand correctly, I need to use two pull-option here in gromacs: one for performing umbrella sampling and other for applying constant force. But, as far as I know I can not specify two pull option in single mdp file of gromacs.
So, I was wondering whether there is any way out in gromacs regarding this issue.
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