Re: [AMBER] mmpbsa.py: Error

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 10 Aug 2015 16:11:23 -0400

On Mon, Aug 10, 2015 at 3:56 PM, George Tzotzos <gtzotzos.me.com> wrote:

> Thank you Kenneth,
>
> I think the problem lies with cpptraj v.15. It simply does not strip the
> solvent molecules.
>

Actually the problem is more likely with ante-MMPBSA.py. I will look into
why this may be happening.

All the best,
Jason
‚Äč
-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Aug 10 2015 - 13:30:03 PDT
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