#ifndef SIMANNEAL#define SIMANNEAL#include "constants.h"#include "print_2x.h"#include "timesys.h"#include "getInitialState.h"#include "mkNewState.h"#include "stateLibrary.h"#include "output_state.h"#include "trilinterp.h"#include "eintcal.h"#include "writePDBQ.h"void simanneal( int   *P_nconf,                 int   Nnb,                 float WallEnergy,                 char  atomstuff[MAX_ATOMS][MAX_CHARS],                 float charge[MAX_ATOMS], 		Boole B_calcIntElec,		float q1q2[MAX_NONBONDS],                float crd[MAX_ATOMS][SPACE],                 float crdpdb[MAX_ATOMS][SPACE], 		char  dpfFN[MAX_CHARS],                float e_internal[NEINT][ATOM_MAPS][ATOM_MAPS],                 float econf[MAX_RUNS],                 Boole B_either,                 float elec[MAX_ATOMS],                 float emap[MAX_ATOMS],                 float xhi,                 float yhi,                 float zhi,                 int   icyclemax,                 float inv_spacing,                 int   irunmax,                 Clock jobStart,                 float xlo,                 float ylo,                 float zlo,                 float map[MAX_GRID_PTS][MAX_GRID_PTS][MAX_GRID_PTS][MAX_MAPS],                 int   naccmax,                 int   natom,                 int   nonbondlist[MAX_NONBONDS][2],                 int   nrejmax,                 int   ntor1,                 int   ntor,                 int   outlev,                 State sInit,  		/* float qtn0[QUAT], 				           float tor0[MAX_TORS], */                State sHist[MAX_RUNS],	/* float qtnHist[MAX_RUNS][QUAT], 				 	   float torHist[MAX_RUNS][MAX_TORS], */                float qtwFac,                 Boole B_qtwReduc,                 float qtwStep0,                 Boole B_selectmin,                 char  smFileName[MAX_CHARS],                 float sml_center[SPACE],                 float RT0,                 Boole B_RTChange,                 float RTFac,                 struct tms tms_jobStart,                 int   tlist[MAX_TORS][MAX_ATOMS],                 float torFac,                 Boole B_torReduc,                 float torStep0,                 char  trjFileName[MAX_CHARS],                 int   trj_cyc_max,                 int   trj_cyc_min,                 int   trj_freq,                 float trnFac,                 Boole B_trnReduc,                 float trnStep0,                 int   type[MAX_ATOMS],                 float vt[MAX_TORS][SPACE],                 Boole B_write_trj,                 Boole B_constrain,                 int   atomC1,                 int   atomC2,                 float sqlower,                 float squpper,		Boole B_linear_schedule,		float RTreduc,		/*float maxrad,*/		Boole B_watch,		char  FN_watch[MAX_CHARS],		Boole B_isGaussTorCon,		unsigned short US_torProfile[MAX_TORS][NTORDIVS],		Boole B_isTorConstrained[MAX_TORS],		Boole B_ShowTorE,		unsigned short US_TorE[MAX_TORS],	        float F_TorConRange[MAX_TORS][MAX_TOR_CON][2],		int   N_con[MAX_TORS],                Boole B_RandomTran0,                Boole B_RandomQuat0,                Boole B_RandomDihe0,                float e0max,                float torsFreeEnergy,                int   MaxRetries);#endif