| Revision: | 3484 |
| Committed: | Tue Jan 13 14:39:51 2009 UTC (15 years, 7 months ago) |
| File size: | 311 byte(s) |
| Log Message: | This commit was manufactured by cvs2svn to create tag 'start'. |
| # | 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 |