Force field parameters for METHYL-BACTERIOCHLOROPHYLL-A (bcl) and METHYL BACTERIOPHEOPHYTIN-A (bph) [Ceccarelli et al., J Comp Chem, 2002, pp 2002, 24, pp 129-142]

The file is a gzipped tar archive containing the directory bcl-bph, containing the files:

* README:
This file.

--------------------Force field parameters---------------------------------
* cromo.tpg:
the topological definitions of the photosynthetic cofactors "bcl"
(methyl-bacteriochlorophyll-a) and "bph" (methyl bacteriopheophytin-a)
with atomic types assignment.

* cromo.prm:
the valence and non bonded parameters of the force field.

N.B.: The format and structure of these files is described in the ORAC
manual, sec. 10.3, available at the internet address
http://www.chim.unifi.it/orac/orac-manual.pdf. The orac code
[Procacci, J. Chem. Inf. Model., 2016, 56 (6), pp 1117-1121] can be
downloaded from http://www.chim.unifi.it/orac/ under the GPL3 license.
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--------------------ORAC input files----------------------------------------
* bcl_start.pdb:
* bph_start.pdb:
The starting PDB structures of bcl and bph (heavy atoms only) with
atomic labels that are matched in the topological file cromo.tpg.

* bcl.in:
* bph.in:
The orac input sets for the CG minimization of the structure and
harmonic frequencies calculations.
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-------------------ORAC output files ----------------------------------------
*bcl_min.pdb:
*bph_min.pdb:
The minimized PDB structures of bcl and bph with hydrogen atoms

*bcl.freq:
*bph.freq:
Harmonic frequencies and corresponding eigenvectors of bcl and
bph. N.B: Normal modes can be directly visualized using jmol or xmakemol
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