/*  _______________________________________________________________________
 *
 *                        RDPARM/PTRAJ: APR 2000
 *  _______________________________________________________________________
 *
 *  $Header: /thr/gamow/cvsroot/amber7/src/ptraj/constants.h,v 1.4 2000/05/10 21:51:59 cheatham Exp $
 *
 *  Revision: $Revision: 1.4 $
 *  Date: $Date: 2000/05/10 21:51:59 $
 *  Last checked in by $Author: cheatham $
 *
 *  This source is now archived under CVS at Scripps in the amber7 tree.
 *
 *  NOTE: this is a beta, pre-release version, is under constant development,
 *  probably contains some bugs and is under constant revision; therefore
 *  take care.  Please report bugs (and fixes!) to cheatham@chpc.utah.edu or 
 *  cheatham@cgl.ucsf.edu
 *
 *  Do not distribute this code without explicit permission.
 *  Do not incorporate into other codes without explicit permission.
 *
 *  Current contact information:
 *
 *     Thomas Cheatham, III
 *     2000 East, 30 South, Skaggs Hall 201
 *     Department of Medicinal Chemistry
 *     University of Utah
 *     Salt Lake City, UT 84112-5820
 *     cheatham@chpc.utah.edu
 *     (801) 587-9653
 *     FAX: (801) 585-5366
 *
 *  Other contributors:
 *
 *    David Case (Scripps)
 *    Michael Crowley (Scripps)
 *    Jed Pitera (UCSF)
 *    Vickie Tsui (Scripps)
 *  _______________________________________________________________________
 */


#ifndef LINE_SIZE
#define LINE_SIZE 512
#endif

#ifndef BUFFER_SIZE
#define BUFFER_SIZE 1024
#endif

#ifndef FILENAME_SIZE
#define FILENAME_SIZE 512
#endif


/*
 * Conversion factor for a point charge to kcals/mol.
 * This is the value defined in AMBER Parm and LEaP.
 */
#ifndef CHARGE_TO_KCALS
#define CHARGE_TO_KCALS 18.2223
#endif

#ifndef DEFAULT_GRID_SIZE 
#define DEFAULT_GRID_SIZE 100
#endif

#ifndef DEFAULT_GRID_SPACING 
#define DEFAULT_GRID_SPACING 0.5
#endif


/*
 *  USEFUL MACROS
 */

#define ABS(a) ((a)>=0 ? (a) : -(a))



#  ifdef MAIN_MODULE
double PI, RADDEG, DEGRAD, SMALL;
#  else
extern double PI, RADDEG, DEGRAD, SMALL;
#  endif