/***************************************************************************
                          ffdoc.h  -  description
                             -------------------
    begin                : Tue Nov 18 01:45:35 2003
    copyright            : (C) 1999-2006 by Cavalli Andrea
    author               : : cavalli $
    date                 : : 2003/12/09 11:10:33 $
    id                   : : coor.h,v 1.1.2.2 2003/12/09 11:10:33 cavalli Exp $
    email                : cavalli@bioc.unizh.ch amc82@cam.ac.uk
**************************************************************************/
/***************************************************************************
 *                                                                         *
 *   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.                                   *
 *                                                                         *
 ***************************************************************************/
#ifndef __FFDOC__
#define __FFDOC__

#include <almost.h>

namespace Almost {
  //Doc string for ff options
  namespace FFDoc {
    static const string kind =
      "Acceptable Values: C19 or C22. Selects the kind of force\n"
      "field to be used. The main difference between C19 and C22, is\n"
      "that C19 force field does not compute the Urey-Bradley internal\n"
      "energy term.\n"
      ;

    static const string  elec = 
      "Acceptable Values: RDIE, CDIE or NONE. Selects the functional\n"
      "form of the electrostatic interaction. With CDIE (Constant\n"
      "dielectric) the energy is proportional to 1/R, while with RDIE\n"
      "(distance dependent dielectric) the interaction is proportional to\n"
      "1/R^2. NONE turns off electrostatic.\n"
      ;

    static const string elec_cutoff = 
      "Acceptable Values:SHIFT or SWITCH. Selects the functional\n"
      "form of the cut-off function for electrostatic interactions.\n"
      ;

    static const string vdw = 
      "Acceptable Values:LJ. Uses standard 6-12 Lennard-Jonnes\n"
      "potential.\n"
      ;

    static const string vdw_cutoff = 
      "Acceptable Values:SHIFT or SWITCH. Selects the functional\n"
      "form of the cut-off function for van der Waals interactions.\n"
      ;

    static const string solv = 
      "Acceptable Values:SASA, EEF1 or NONE. Selects the\n"
      "implicit solvation model to be used.\n"
      ;

    static const string solv_ignore_h = 
      "Not used.\n"
      ;
      
    static const string cut_on = 
      "Acceptable Values: positive real number. Note that cut_on <\n"
      "cut_off < cut_nb. \n"
      ;

    static const string cut_off = 
      "Acceptable Values: positive real number.\n"
      ;
	
    static const string cut_nb = 
      "Acceptable Values: positive real number.	\n"
      ;
	
    static const string e_zero = 
      "Acceptable Values: positive real number. Value of the vacuum\n"
      "dielectric constant. \n"
      "Default: 332.0716\n"
      ;

    static const string e_14 = 
      "Acceptable Values: positive real number. Electrostatic scaling\n"
      "for 1-4 interaction.\n"
      ;
	
    static const string eps = 
      "Acceptable Values: positive real number. Dielectric \"scaling\"\n"
      "of electrostatics.\n"
      ;
	
    static const string r_water = 
      "Acceptable Values: positive real number. Radius of\n"
      "water. Default: 1.4. Only by implicit solvent models.    \n"
      ;

    static const string alpha = "Acceptable Values: positive real number. SOFT Van der Waal parameter.\n";
  }
}

#endif
// Local Variables:
// mode:C++
// End: