[gmx-users] umbrella sampling with force clamping unfolding of ubiquitin

gwonchan gwonchanyoon at gmail.com
Fri Mar 28 21:34:14 CET 2014

Dear gromacs users

Hello. I am doing umbrella sampling with constant force clamping of
ubiquitin. So I put umbrella bias potential with "pull=umbrella" option in
mdp file, but I have no idea how can I apply constant clamping force.
When I define "pull=constant_force" at the bottom of umbrella pull code in
mdp file, it is double definition error of pull code. 
Do you guys have any idea for this problem?


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