parameter {
<parameter-statement>
} end
<parameter-statement> :==
?
Print current status.
reset
=
all
|
atom
|
type
Reset data base.
verbose
learn
<parameter-learn-statement>
end
reduce
<parameter-reduce-statement>
end
bond
<type>
<type>
<real>
<real>
bond
<atom-selection>
<atom-selection>
<real>
<real>
angle
<type>
<type>
<type>
<real>
<real>
[
ub
<real>
<real>
]
angle
<atom-selection>
<atom-selection>
<atom-selection>
<real>
<real>
[
ub
<real>
<real>
]
dihedral
<type>
<type>
<type>
<type>
[
multiplicity
<integer>
]
<real>
<integer>
<real>
dihedral
<atom-selection>
<atom-selection>
<atom-selection>
<atom-selection>
[
multiplicity
<integer>
]
repeat
[
<real>
<integer>
<real>
]
improper
<type>
<type>
<type>
<type>
[
multiplicity
<integer>
]
repeat
[
<real>
<integer>
<real>
]
improper
<atom-selection>
<atom-selection>
<atom-selection>
<atom-selection>
[
multiplicity
<integer>
]
repeat
[
<real>
<integer>
<real>
]
nonbonded
<type>
<real>
<real>
<real>
<real>
nonbonded
<atom-selection>
<real>
<real>
<real>
<real>
nbonds
<parameter-nbonds-statement>
end
nbfix
<type>
<type>
<real>
<real>
<real>
<real>
nbfix
<atom-selection>
<atom-selection>
<real>
<real>
<real>
<real>
Wildcard specifications for dihedrals and impropers:
dihedrals: (a b c d) -> (x b c x)
impropers: (a b c d) -> (a x x d) -> (x b c d) -> (x b c x) -> (x x c d).