1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
|
#
# 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
|
