Re: [AMBER] pbsa question

From: zahra khatti <zkhatti2000.yahoo.com>
Date: Mon, 12 Jan 2015 16:25:33 +0000 (UTC)

For example for visualizing electrostatic potential map in vmd,I didn't see any option in mmpbsa.py; but there is in pbsa. Z. Khatti, Ph.D student of Physical Chemistry,
Department of Chemistry, Iran University of Science & Technology,Tehran, Iran
 

     On Monday, January 12, 2015 4:50 PM, Jason Swails <jason.swails.gmail.com> wrote:
   

 
> On Jan 12, 2015, at 4:23 AM, zahra khatti <zkhatti2000.yahoo.com> wrote:
>
> Dear amber users For having wan der Waals plot and binding energy plot during the production, Could I use mmpbsa.py or must be used pbsa in sander?

I think you can use MMPBSA.py, but I admit that it is not at all clear exactly what it is you want to do based on your question.

Good luck,
Jason

--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Jan 12 2015 - 08:30:02 PST
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