eintcal.h

/*

 $Id: eintcal.h,v 1.20 2012/04/13 06:22:10 mp Exp $

 AutoDock  

Copyright (C) 2009 The Scripps Research Institute. All rights reserved.

 AutoDock is a Trade Mark of The Scripps Research Institute.

 This program is free software; you can redistribute it and/or
 modify it under the terms of the GNU General Public License
 as published by the Free Software Foundation; either version 2
 of the License, or (at your option) any later version.

 This program is distributed in the hope that it will be useful,
 but WITHOUT ANY WARRANTY; without even the implied warranty of
 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 GNU General Public License for more details.

 You should have received a copy of the GNU General Public License
 along with this program; if not, write to the Free Software
 Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301, USA.

 */


#ifndef EINTCAL
#define EINTCAL

#include "constants.h"
#include "structs.h"

#define NULL_GROUP_ENERGY ((GroupEnergy *)NULL)

Real  eintcal( const NonbondParam * const nonbondlist, 
               const EnergyTables  *ad_energy_tables,
               const Real tcoord[MAX_ATOMS][SPACE], 
               const int  Nnb,
	       int Nnb_array[3],
  	       GroupEnergy *group_energy,
               const Boole B_calcIntElec,
               const Boole B_include_1_4_interactions,
               ConstReal  scale_1_4,
               const Real qsp_abs_charge[MAX_ATOMS],
               const Boole B_use_non_bond_cutoff,
               const Boole B_have_flexible_residues,
	       const int outlev,
	       FILE *logFile);

#endif        /*!EINTCAL*/