Aw: [gmx-users] Umbrella sampling- force vs time plots

rookie417 lsurampu at
Wed Jul 10 01:38:55 CEST 2013

Thanks Justin and Stephan, 

One more question, while pulling from the interior of a multiple monomer
micelle structure, I used higher force  constants (5000 kJ/mol/nm^2) for
position restraints on the reference group to keep the system intact. I am
assuming that I have to use different pull_k1 for inside and outside the
structure, due to the nature of interactions. Is that correct? I was also
wondering how g_wham evaluates the PMF for the multiple interactions inside
the system considering the position restraints and pull force constant.

Thanks again!! 

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