[AMBER] calculate free energy binding in presence of ions witn mmpbsa

From: Carlos Romero <carlos.rom.74he.gmail.com>
Date: Wed, 2 Mar 2016 00:48:03 -0600

Hi dear all.

Recently I wrote an e-mail for you with respect to calculate free energy
binding of a complex in presence of ions.

I have been reading a little about it in the amber mailing list and I found
in http://archive.ambermd.org/201101/0612.html that there is no way to do
what I should try to do.

My interest in ions is because I wonder which is the behavior in a
Hoffmeiser series in my complex.


Does anybody has a suggestion? I will appreciate a lot

Thanks in advance


Regards
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Received on Tue Mar 01 2016 - 23:00:03 PST
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