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 |
|