Potentials are chosen with the use command. "use" is given a list of tokens which identify the potentials to use. The list is cleared with the token "none". For example, "use none bond angle; " resets the list and uses the bond and angle terms. "use hybrid;" just adds the hybrid terms to the list. "use angle bond none;" is equivalent to "use none;". You can manipulate the "use" command directly from the menu in winammp.
The potential types are given below, Bold are on by default.
| bond |
harmonic bond length |
| mmbond |
MM3 bond function |
| hobond |
homotopy bond (control with parameter lambda) |
| abc |
angle-correlated bond length (requires abc data statement) |
| morse |
Morse bond function (requires Morse data statement) |
| restrain |
harmonic distance restraint (requires restrain data statement)
|
| |
|
| angle |
harmonic angle |
| mmangle |
MM3 angle function |
| cangle |
UFF cosine angle function |
| hoangle |
homotopy angle (control with parameter lambda) |
| torsion |
torsion angle |
| |
|
| hybrid |
pyramid height |
| tether |
harmonic position restraint |
| noel |
split harmonic distance constraint |
| honoel |
homotopy noel term (control with parameter lambda) |
| |
|
| nonbon |
point atom electrostatics and Van derWaals terms |
| screen |
1s distributed charge electrostatics |
| debye |
Debye screened potentials |
| shadow |
4-D non-bonded for embedding. |
| none |
reset the list |