Mercurial > repos > marcel > caddsuite_linux_x86_64
view CADDSuite-1.0.1/data/OpenBabel/mmff94s.ff @ 9:2cff9609f2c7
Uploaded
author | marcel |
---|---|
date | Tue, 15 Nov 2011 10:40:26 -0500 |
parents | |
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 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