/* _______________________________________________________________________ * * RDPARM/PTRAJ: 2008 * _______________________________________________________________________ * * This file is part of rdparm/ptraj. * * rdparm/ptraj 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. * * rdparm/ptraj 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 can receive a copy of the GNU General Public License from * http://www.gnu.org or by writing to the Free Software * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA * ________________________________________________________________________ * * CVS tracking: * * $Header: /home/case/cvsroot/amber11/AmberTools/src/ptraj/constants.h,v 10.0 2008/04/15 23:24:11 case Exp $ * * Revision: $Revision: 10.0 $ * Date: $Date: 2008/04/15 23:24:11 $ * Last checked in by $Author: case $ * ________________________________________________________________________ * * * CONTACT INFO: To learn who the code developers are, who to contact for * more information, and to know what version of the code this is, refer * to the CVS information and the include files (contributors.h && version.h) * */ #include "contributors.h" #include "version.h" /* ________________________________________________________________________ */ #ifndef LINE_SIZE #define LINE_SIZE 512 #endif #ifndef BUFFER_SIZE #define BUFFER_SIZE 2048 #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