[AMBER] mmpbsa.py

From: zahra khatti <zkhatti2000.yahoo.com>
Date: Mon, 2 Jun 2014 07:54:40 -0700 (PDT)

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 attachment file is mmpbsa.mdin file. Thanks for your reply.   Z. Khatti, Ph.D student of Physical Chemistry, Department of Chemistry, Iran University of Science & Technology,Tehran, Iran

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Received on Mon Jun 02 2014 - 08:00:04 PDT
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