Re: [AMBER] MMPBSA error

From: zahra khatti <zkhatti2000.yahoo.com>
Date: Tue, 3 Jun 2014 13:17:48 -0700 (PDT)

AmberTools13

 
Z. Khatti, Ph.D student of Physical Chemistry,
Department of Chemistry, Iran University of Science & Technology,Tehran, Iran



On Tuesday, June 3, 2014 7:43 PM, Jason Swails <jason.swails.gmail.com> wrote:
 


On Tue, Jun 3, 2014 at 10:15 AM, zahra khatti <zkhatti2000.yahoo.com> wrote:


>
>
> Dear Amber users
>
> I run mmpbsa.py calculation with this input file:
> Input file for running PB
> &general
> endframe=50, verbose=1,
> /
> &pb
> /
> and I take this error massage :
> PB Bomb in pb_atmlist(): maxnba too short
>

​What version of AmberTools are you using?

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Tue Jun 03 2014 - 13:30:03 PDT
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