[gmx-users] Justin biphasic tutorial with controlled adsoption of protein

James Lord jjamesgreen110 at gmail.com
Sat May 2 16:02:04 CEST 2015

Dear gmx users,
I have a biphasic system, like Justin's tutorial, but I want to control
the protein to adsorb/desorb from the oil-water interface, I don't want the
protein to go through oil phase just want to keep it at the interface, I
have added a constant force at the end of the mdp file. i tried different
pull_k1 values but what I see is, when the force is applied the oil is also
deformed (which makes sense) and kinda make a hole in the oil phase and
eventually pass through it. I just want to keep it at or away from the
interface without deforming/puling away the oil molecules, What is the best
way to do it? any suggestion? here is the mdp


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