[gmx-users] Permeability determination

Chetan Puri chetanpuris at gmail.com
Tue Nov 14 15:32:25 CET 2017

I am trying to do umbrella sampling for a ligand and dopc membrane.
For umbrella sampling pulling step, I am unable to posre_restrain the
lipid, since grompp gives a error due to conflict between posre_restrain
file of lipid and itp file of lipid.
I have 128dopc molecules.

So can someone suggest how to posre_restrain the lipid.


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