Revision: | 378 |
Committed: | Fri Mar 21 17:42:12 2003 UTC (21 years, 6 months ago) by mmeineke |
File size: | 380 byte(s) |
Log Message: | This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches. |
# | User | Rev | Content |
---|---|---|---|
1 | mmeineke | 377 | ! This is the forcefield file for the TraPPE force field. |
2 | ! the sections are divided into AtomTypes, BondTypes, BendTypes, | ||
3 | ! and TorsionTypes. | ||
4 | |||
5 | |||
6 | #AtomTypes | ||
7 | !Atom mass LJ epsilon ( kcal/mol) LJ sigma (Angstroms) | ||
8 | |||
9 | CH4 16.05 0.279 3.73 | ||
10 | CH3 15.04 0.185 3.75 | ||
11 | CH2 14.03 0.0866 3.95 | ||
12 | Ar 39.95 0.23806656 3.41 | ||
13 | He 4.003 0.02026944 2.28 | ||
14 | Ne 20.18 0.0933984 2.72 |