| Revision: | 378 |
| Committed: | Fri Mar 21 17:42:12 2003 UTC (21 years, 5 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. |
| # | Content |
|---|---|
| 1 | ! 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 |