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CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:08:49 -0400
parents 55c32b55c2c2
children
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#
# MMFF94 paremeter files
#

# atom properties
prop	mmffprop.par
# fallback defs
def	mmffdef.par
# bond stretching parameters
bond	mmffbond.par
# angle bending parameters
ang	mmffang.par
# empirical rule parameters (bond stretching)
bndk	mmffbndk.par
# charge parameters
chg	mmffchg.par
# empirical rule parameters (bend-stretch)
dfsb	mmffdfsb.par
# out-of-plane parameters
oop	mmffoop.par
# partial bond charge increments
pbci	mmffpbci.par
# strech-bend parameters
stbn	mmffstbn.par
# torsion parameters
tor	mmfftor.par
# van der waals parameters
vdw	mmffvdw.par