[gmx-users] regarding umbrella sampling

Abed Askari abedaskari at yahoo.com
Mon Aug 19 22:03:12 CEST 2013

Dear gmx-users

I want to use umbrella sampling to calculate the PMF between

two molecules and x-axis is the reaction coordinate. would you please

tell me I can use position restraint in y and z directions for the pulling group or not?

 any help would be appreciated.

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