[AMBER] MMPBSA

From: Sourav Purohit <sour000.gmail.com>
Date: Sun, 13 Apr 2014 15:09:17 +0530

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 - 03:00:02 PDT
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