#ifndef _trr_header_h_ #define _trr_header_h_ typedef struct /* This struct describes the order and the */ /* sizes of the structs in a trjfile, sizes are given in bytes. */ { int bDouble; /* Double precision? */ int ir_size; /* Backward compatibility */ int e_size; /* Backward compatibility */ int box_size; /* Non zero if a box is present */ int vir_size; /* Backward compatibility */ int pres_size; /* Backward compatibility */ int top_size; /* Backward compatibility */ int sym_size; /* Backward compatibility */ int x_size; /* Non zero if coordinates are present */ int v_size; /* Non zero if velocities are present */ int f_size; /* Non zero if forces are present */ int natoms; /* The total number of atoms */ int step; /* Current step number */ int nre; /* Backward compatibility */ float tf; /* Current time */ float lambdaf; /* Current value of lambda */ double td; /* Current time */ double lambdad; /* Current value of lambda */ } t_trnheader; int do_trnheader(XDRFILE *xd, char bRead, t_trnheader *sh); #endif