haintermol.h File Reference

#include "hastl.h"
#include "command.h"
#include "haatgroup.h"
#include "hacompmod.h"
#include "hasurface.h"

Go to the source code of this file.

Classes
class	HaInterMolMod
	Class to simulate docking between two molecules. More...
Variables
const int	NO_ELECTR = 0
	Do not compute electrostatic interactions.
const int	CONTINUUM_ELECTR = 1
	Compute electrostatic interactions using PB caclulations of the complex and its parts.
const int	COULOMB_ELECTR = 2
	Compute electrostatic interactions using Coloumb law.
const int	CHARGES_IN_FIELD_ELECTR = 3
	Compute electrostatic interactions as the energy of the charges of one molecule in the field of the another.

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Detailed Description

Classes to model intermolecular interactions in HARLEM

Author:

Igor Kurnikov

Date:

1999-2002

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