[gmx-users] Regarding constant force pulling
Singam Karthick
sikart21 at yahoo.in
Sun Jul 13 19:29:40 CEST 2014
Dear all
I am trying to calculate rate of unfolding from pulling simulation. I have seen a paper in PLOS one (http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0034781) which says they have done a constant force pulling from 750 to 3000 pN. I have a small query how do we specify the constant force in mdp file? I can see a pull_rate but how to specify the rate in pN.
regards
singam
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