ADL: Metal parameters

Yu Chan Myung yuchan.m at gmail.com
Fri May 9 04:48:39 PDT 2008


Hi.

I have no idea about your colouring problem ,but there are two kinds of
files about metal parameter at least.
ADT uses AMBER/ CHARMM/ PARSE forece field parameter and each parameter data
complements each other. ( i.e, AMBER has no NAD parameter, but CHARMM.dat
provides
NAD informations.).

AMBER.dat , CHARMM.dat , PARSE.dat are in
"MGLTools-1.5.1\MGLToolsPckgs\MolKit\pdb2pqr\dat"

And torsion , bond length , bond angle...parameters are in "parm94_dat.py"
which located
in "MGLTools 1.5.0\MGLToolsPckgs\MolKit" and
"Phyton24\Lib\site-packages\Molkit"

I hope my information useful to you.


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