| Revision: | 687 |
| Committed: | Tue Aug 12 18:15:06 2003 UTC (20 years, 10 months ago) by gezelter |
| File size: | 359 byte(s) |
| Log Message: | fixed a few references to older stuff... |
| # | Content |
|---|---|
| 1 | ! This is the forcefield file for the Lennard-Jones Force Field (LJFF). |
| 2 | ! There is only a section for AtomTypes in this FF |
| 3 | |
| 4 | #AtomTypes |
| 5 | !Atom mass LJ epsilon ( kcal/mol) LJ sigma (Angstroms) |
| 6 | |
| 7 | CH4 16.05 0.279 3.73 |
| 8 | CH3 15.04 0.185 3.75 |
| 9 | CH2 14.03 0.0866 3.95 |
| 10 | Ar 39.95 0.23806656 3.41 |
| 11 | He 4.003 0.02026944 2.28 |
| 12 | Ne 20.18 0.0933984 2.72 |