Choosing the Potentials

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