?? getinitialstate.h
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#ifndef GETINITIALSTATE#define GETINITIALSTATE#include "constants.h"#include "qmultiply.h"#include "stateLibrary.h"#include "initautodock.h"#include "trilinterp.h"#include "eintcal.h"#include "cnv_state_to_coords.h"#include "prInitialState.h"#include "timesys.h"void getInitialState( float *Addr_e0, float e0max, State *sInit, State *sMin, State *sLast, Boole B_RandomTran0, Boole B_RandomQuat0, Boole B_RandomDihe0, float charge[MAX_ATOMS], float q1q2[MAX_NONBONDS], float crd[MAX_ATOMS][SPACE], float crdpdb[MAX_ATOMS][SPACE], char atomstuff[MAX_ATOMS][MAX_CHARS], float elec[MAX_ATOMS], float emap[MAX_ATOMS], float e_internal[NEINT][ATOM_MAPS][ATOM_MAPS], Boole B_calcIntElec, float xhi, float yhi, float zhi, float xlo, float ylo, float zlo, float inv_spacing, float map[MAX_GRID_PTS][MAX_GRID_PTS][MAX_GRID_PTS][MAX_MAPS], int natom, int Nnb, int nonbondlist[MAX_NONBONDS][2], int ntor, int tlist[MAX_TORS][MAX_ATOMS], int type[MAX_ATOMS], float vt[MAX_TORS][SPACE], int irun1, int outlev, int MaxRetries, float torsFreeEnergy);#endif?? 快捷鍵說明
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