| Revision: | 559 |
| Committed: | Thu Jun 19 22:02:44 2003 UTC (21 years ago) by mmeineke |
| File size: | 380 byte(s) |
| Log Message: | slowly converting to new integrator and forcefield names. |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | mmeineke | 559 | ! 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 |