[AMBER] How to "not" strip an ion (say Mg) in MMPBSA

From: Hirdesh Kumar <hirdesh.iitd.gmail.com>
Date: Wed, 14 Sep 2016 12:06:57 +0200

Hi,

I am trzying to calculate binding energy between two proteins using MMPBSA
method. I found that all ions were automatically deleted by ptraj. However,
I want to keep Mg2+ intact in my system. How can I do this.

Thanks,
Hirdesh
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Received on Wed Sep 14 2016 - 03:30:03 PDT