cct.amber
Class AmberPrmtop

java.lang.Object
  extended by cct.amber.AmberPrmtop

public class AmberPrmtop
extends java.lang.Object

Title:

Description:

Copyright: Copyright (c) 2006

Company: ANU


Field Summary
static float CHARGES_TO_KCAL_AMBER
           
(package private)  boolean Debug
           
(package private)  int dl
           
(package private)  int ifbox
           
(package private)  int ifcap
           
(package private)  int ifpert
           
(package private)  int mbona
           
(package private)  int mbper
           
(package private)  int mdper
           
(package private)  int mgper
           
(package private)  int mphia
           
(package private)  int mtheta
           
(package private)  int nat
           
(package private)  int natyp
           
(package private)  int nbona
           
(package private)  int nbonh
           
(package private)  int nbper
           
(package private)  int ndper
           
(package private)  int ngper
           
(package private)  int nhparm
           
(package private)  int nmxrs
           
(package private)  int nnb
           
(package private)  int nparm
           
(package private)  int nphb
           
(package private)  int nphia
           
(package private)  int nphih
           
(package private)  int nptra
           
(package private)  int nres
           
(package private)  int ntheta
           
(package private)  int ntheth
           
(package private)  int ntypes
           
(package private)  int numang
           
(package private)  int numbnd
           
(package private)  int numextra
           
(package private)  int repeat
           
 
Constructor Summary
AmberPrmtop()
           
 
Method Summary
 int getNumberOfAtoms()
           
static void main(java.lang.String[] args)
           
 MoleculeInterface parsePrmtop(MoleculeInterface mol, java.lang.String filename)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

CHARGES_TO_KCAL_AMBER

public static float CHARGES_TO_KCAL_AMBER

Debug

boolean Debug

repeat

int repeat

dl

int dl

nat

int nat

ntypes

int ntypes

nbonh

int nbonh

mbona

int mbona

ntheth

int ntheth

mtheta

int mtheta

nphih

int nphih

mphia

int mphia

nhparm

int nhparm

nparm

int nparm

nnb

int nnb

nres

int nres

nbona

int nbona

ntheta

int ntheta

nphia

int nphia

numbnd

int numbnd

numang

int numang

nptra

int nptra

natyp

int natyp

nphb

int nphb

ifpert

int ifpert

nbper

int nbper

ngper

int ngper

ndper

int ndper

mbper

int mbper

mgper

int mgper

mdper

int mdper

ifbox

int ifbox

nmxrs

int nmxrs

ifcap

int ifcap

numextra

int numextra
Constructor Detail

AmberPrmtop

public AmberPrmtop()
Method Detail

main

public static void main(java.lang.String[] args)

getNumberOfAtoms

public int getNumberOfAtoms()

parsePrmtop

public MoleculeInterface parsePrmtop(MoleculeInterface mol,
                                     java.lang.String filename)
                              throws java.lang.Exception
Throws:
java.lang.Exception