Mercurial > repos > marcel > caddsuite_linux_x86_64

view CADDSuite-1.0.1/data/OpenBabel/mmff94.ff @ 11:6e831e66a229

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Deleted selected files
author marcel
date Tue, 15 Nov 2011 10:43:10 -0500
parents 2cff9609f2c7
children
line wrap: on
line source

#
# 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