Hi all,
This paper in the Journal of Computational Chemistry (from 2003):
An ab initio force field for the cofactors of bacterial photosynthesis.
Ceccarelli M, Procacci P, Marchi M.
http://dx.doi.org/10.1002/jcc.10198
describes the development of parameters for Bacteriochlorophyll (in line
with AMBER FFs).
The final line states "All bonded and non bonded parameters, including DFT
calculated ESP charges, are available in the supporting material."
Unfortunately, the supporting material does not seem to be online.
Does anyone have parameter files (or at least the parameters is some
format) from this paper?
Many thanks!
Marc
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Received on Thu Aug 30 2012 - 09:00:04 PDT
