Dear Amber users
I would like to be using the MMPBSA.py API in my work.
I’ve run MMPBSA.py on a pretty standard ligand protein system and attempt to then load the the mmpbsa info as described on p637 of the Amber 2015 reference manual:
from MMPBSA_mods import API as MMPBSA_API
data = MMPBSA_API.load_mmpbsa_info(’_MMPBSA_info’)
I get:
AttributeError: 'MMPBSA_App' object has no attribute ‘using_chamber'
Full output: https://gist.github.com/davipatti/1c6efbf24bf63f5355e8 <https://gist.github.com/davipatti/1c6efbf24bf63f5355e8>
_MMPBSA_info: https://gist.github.com/davipatti/048b342cfdc9f6b9246a <https://gist.github.com/davipatti/048b342cfdc9f6b9246a>
Many thanks for your help
David
______________
David J. Pattinson
PhD Student in the Centre for Pathogen Evolution
Department of Zoology
University of Cambridge
Downing St
Cambridge CB2 3EJ
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Received on Fri May 29 2015 - 04:00:03 PDT
