| Angle |
Angle table, corresponds to the MMFFANG.PAR parameters table provided in
the MMFF literature.
|
| Atom |
Atom table, corresponds to the MMFFPROP.PAR parameters table provided
in the MMFF literature.
|
| Bndk |
Bndk table, corresponds to the MMFFBNDK.PAR parameters table provided
in the MMFF literature.
|
| Bond |
Bond table, corresponds to the MMFFBOND.PAR parameters table provided
in the MMFF literature.
|
| Charge |
|
| CovRad |
CovRad table, used in the bond stretch empirical calculations of 'kb'
and 'r0'.
|
| Def |
Equivalence table, corresponds to MMFFDEF.PAR parameters table provided
in the MMFF literature.
|
| Dfsb |
|
| HerschbachLaurie |
Table for Herschbach-Laurie version of Badger's rule.
|
| OutOfPlane |
|
| Stbn |
|
| Torsion |
|
| VanDerWaals |
|