[gmx-users] membrane pre-equilibration

Olga Press pressol at post.bgu.ac.il
Sun Oct 7 13:23:31 CEST 2018


 Dear all,
I'm new in the field of simulating membrane-protein system in gromacs by
using charmm36-ff.
I've used charmm-gui membrane builder to contract  pure DOPC bilayer and
followed the "README" file.  Which analysis should I perform* before*
embedding the protein into the membrane to ensure the
membrane pre-equilibration? I would be happy if someone can refer me to
protocol or links.

Thank you.
Olga


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