[gmx-users] g_potential help

rajat desikan rajatdesikan at gmail.com
Mon Apr 21 15:58:45 CEST 2014


Hi All,

I have a membrane-protein-solvent system, and I want the potential across
the membrane in the direction of the membrane normal. I have 2 questions in
that regard.

1) We know that epsilon_r = 80 for the water, ~7 for the membrane-water
interface and ~2 for the hydrophobic membrane core. g_potential returns the
result for epsilon_r = 1. How can I incorporate this into the result?

2) Default ng =1? Is the number of groups referring to the number of charge
groups defined in the topology?

Thank you for your time.

-- 
Rajat Desikan (Ph.D Scholar)
Prof. K. Ganapathy Ayappa's Lab (no 13),
Dept. of Chemical Engineering,
Indian Institute of Science, Bangalore


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