---------- Forwarded message ----------
From: Sourav Purohit <sour000.gmail.com>
Date: Sun, Apr 13, 2014 at 3:09 PM
Subject: MMPBSA
To: AMBER Mailing List <amber.ambermd.org>
Hi ,
I only have counterions in my system and no extra added salt. What value of
saltcon shall I use? The example in AMBER tutorial also has only
counterions and a value of 0.1 has been used. Is that the standard value
to be used?? I find a considerable difference in GB output energies for
saltcon=0.0 and saltcon=0.1. Kindly guide me on this. I found out the conc.
of ions in the system in mole/liter and used the value for istrng. Is that
correct??
Thanks.
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Received on Sun Apr 13 2014 - 03:30:02 PDT
