Mercurial > repos > marcel > caddsuite_linux_x86_64
view CADDSuite-1.0.1/data/OpenBabel/mmffdfsb.par @ 9:2cff9609f2c7
Uploaded
author | marcel |
---|---|
date | Tue, 15 Nov 2011 10:40:26 -0500 |
parents | |
children |
line wrap: on
line source
* * Copyright (c) Merck and Co., Inc., 1994 * All Rights Reserved * * MMFF Default Stretch-Bend Parameters * Row in * Periodic Table * IR JR KR F(I_J,K) F(K_J,I) 0 1 0 0.15 0.15 0 1 1 0.10 0.30 0 1 2 0.05 0.35 0 1 3 0.05 0.35 0 1 4 0.05 0.35 0 2 0 0.00 0.00 0 2 1 0.00 0.15 0 2 2 0.00 0.15 0 2 3 0.00 0.15 0 2 4 0.00 0.15 1 1 1 0.30 0.30 1 1 2 0.30 0.50 1 1 3 0.30 0.50 1 1 4 0.30 0.50 2 1 2 0.50 0.50 2 1 3 0.50 0.50 2 1 4 0.50 0.50 3 1 3 0.50 0.50 3 1 4 0.50 0.50 4 1 4 0.50 0.50 1 2 1 0.30 0.30 1 2 2 0.25 0.25 1 2 3 0.25 0.25 1 2 4 0.25 0.25 2 2 2 0.25 0.25 2 2 3 0.25 0.25 2 2 4 0.25 0.25 3 2 3 0.25 0.25 3 2 4 0.25 0.25 4 2 4 0.25 0.25 $