| Revision: | 12 |
| Committed: | Tue Jul 9 18:43:18 2002 UTC (21 years, 11 months ago) by mmeineke |
| Original Path: | branches/mmeineke/forcefields/DipoleTest.frc |
| File size: | 311 byte(s) |
| Log Message: | forcefield parameter files for libmdtools |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | mmeineke | 12 | ! 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 isDipole mass LJ epsilon ( kcal/mol) LJ sigma (Angstroms) Dipole Moment (Debye) | ||
| 8 | |||
| 9 | SSD 1 18.03 0.152 3.051 2.35 | ||
| 10 | Ar 0 39.95 0.226 3.41 |