[gmx-users] 'conditional' pull during MD simulation

Saheem Zaidi saheemza at usc.edu
Thu Feb 2 00:23:00 CET 2017

Hi All,

I am wondering if it is possible to run a MD simulation where a 'pull' would be applied to an atom only when certain conditions are met e.g. atom within 0.5 nm of both atom A and atom B. Any ideas/suggestions would be helpful.

Thanks a lot.


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