[AMBER] MMPBSA.py: Effect on ionic strength concentration on Delta G

From: George Tzotzos <gtzotzos.me.com>
Date: Wed, 10 Aug 2011 15:26:38 +0200

I'm trying to analyse the effect of ionic strength on the Delta G of binding of a protein-ligand complex.

I've been trying to do this by changing saltcon in the script below from 0.1 through to 0.8. I've observed little or no difference which does not much experimental data.

Is there something else I should be doing? Your advice will be much appreciated.

Regards

George

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Received on Wed Aug 10 2011 - 06:30:04 PDT
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