[AMBER] "istrng" option in MMPBSA calculation

From: baogen duan <dbaogen.gmail.com>
Date: Thu, 18 Oct 2012 18:57:29 +0800

Dear Amber users and developersú║

        In the course of calculaiton of electrostatic solvation free energy
using MMPBSA script, the default value for "istring" option is 0, but it is
set 0.2M. whether does it mean that the solvated and reference state for
solvation energy calculation both in 0.2M ion strength condition? Or
solvated state is in 0.2M condtion. But the reference state (vacuum
condtion) is no ions. Thanks in advance!

Best wishes,

Duan Baogen
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Received on Thu Oct 18 2012 - 04:00:03 PDT
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