Revision: | 687 |
Committed: | Tue Aug 12 18:15:06 2003 UTC (21 years, 1 month ago) by gezelter |
File size: | 359 byte(s) |
Log Message: | fixed a few references to older stuff... |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 687 | ! This is the forcefield file for the Lennard-Jones Force Field (LJFF). |
2 | ! There is only a section for AtomTypes in this FF | ||
3 | mmeineke | 559 | |
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 |