[sire] r2762 committed - Adding in the fixed version of QuantumToMM that correctly calculates a...
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Nov 17, 2014, 6:00:40 AM11/17/14
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Revision: 2762
Author: chrys...@gmail.com
Date: Mon Nov 17 11:00:28 2014 UTC
Log: Adding in the fixed version of QuantumToMM that correctly
calculates and passes in the charge
of charged ligands
https://code.google.com/p/sire/source/detail?r=2762
Modified:
/python/branches/devel/Tools/QuantumToMM.py
Author: chrys...@gmail.com
Date: Mon Nov 17 11:00:28 2014 UTC
Log: Adding in the fixed version of QuantumToMM that correctly
calculates and passes in the charge
of charged ligands
https://code.google.com/p/sire/source/detail?r=2762
Modified:
/python/branches/devel/Tools/QuantumToMM.py
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