[AMBER] Query about Salt-Concentration (soltcon) for Constant pH MD

From: Bharat Manna <bharatmanna.gmail.com>
Date: Mon, 2 Jul 2018 11:21:09 +0530

Dear all,

I'm trying to run constant pH simulation with explicit solvent, following
the Explicit Solvent CpHMD by jswails (
http://jswails.wikidot.com/explicit-solvent-constant-ph-md). In the
production run mdin file I can't understand how the saltcon is set to 0.1.
My solvent contains water and ionic liquid mixture. Could you please give
me some advice on how to set the salt concentration?


Bharat Manna
PhD Scholar
IIT Kharagpur
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Received on Sun Jul 01 2018 - 23:00:02 PDT
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