comparison CADDSuite-1.5/data/OpenBabel/mmff94s.ff @ 15:ac342506cd4e draft

CADDSuite version 1.5

15:ac342506cd4e

#
# 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	mmffs_oop.par
# partial bond charge increments
pbci	mmffpbci.par
# strech-bend parameters
stbn	mmffstbn.par
# torsion parameters
tor	mmffs_tor.par
# van der waals parameters
vdw	mmffvdw.par