forcefield
Class ImproperDihedrals

java.lang.Object
  forcefield.ImproperDihedrals

public class ImproperDihedrals

extends java.lang.Object

The ImproperDihedrals class contains all the improper dihedral information from the sytem.

Since:

0.1

Version:

0.1, November 2002

Author:

Mika Kastenholz

Field Summary

int[]	I Atom i of improper dihedral-angle[num].
java.lang.String[]	idht String of the ImproperDihedralType.
int[]	J Atom j of improper dihedral-angle[num].
int[]	K Atom k of improper dihedral-angle[num].
double[]	Kzeta Force constant of improper dihedral-angle[num].
int[]	L Atom l of improper dihedral-angle[num].
int	number Number of improper dihedral-angles in the object.
double[]	zeta0 Ideal angle of improper dihedral-angle[num].

Constructor Summary

ImproperDihedrals(int num)
The ImproperDihedrals class contructor.

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

number

public int number

Number of improper dihedral-angles in the object.

I

public int[] I

Atom i of improper dihedral-angle[num].

J

public int[] J

Atom j of improper dihedral-angle[num].

K

public int[] K

Atom k of improper dihedral-angle[num].

L

public int[] L

Atom l of improper dihedral-angle[num].

Kzeta

public double[] Kzeta

Force constant of improper dihedral-angle[num].

zeta0

public double[] zeta0

Ideal angle of improper dihedral-angle[num].

idht

public java.lang.String[] idht

String of the ImproperDihedralType.

Constructor Detail

ImproperDihedrals

public ImproperDihedrals(int num)

The ImproperDihedrals class contructor.

Parameters:

num - number of improper dihedrals to be added

See Also:

ImproperDihedrals, ImpDihedralType