[AMBER] Electrostatic energy calculated by MD in MM/GBSA

From: menwer momo <masalmeh2007.yahoo.com>
Date: Fri, 18 Jul 2014 13:06:08 -0700

Dear Amber users,

 If a mutation caused the electrostatic energy as calculated by molecualr dynamics to become more negative can I say that it increased the favorable electrostatic interactions?

Note: I calculated the binding free energy for protein-DNA complex in addition to several  point mutants-DNA complexes  using MM/GBSA and  I want to explain the change that occured due to the mutations on the electrostatic energy as calculated by MD.

Thanks in advance.
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Received on Fri Jul 18 2014 - 13:30:02 PDT