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.
best regards.
Z. Khatti, Ph.D student of Physical Chemistry,
Department of Chemistry, Iran University of Science & Technology,Tehran, Iran
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Received on Tue Jun 03 2014 - 07:30:03 PDT
