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38 #ifndef GMX_FILEIO_G96IO_H
39 #define GMX_FILEIO_G96IO_H
47 int read_g96_conf(FILE* fp, const char* infile, char** name, struct t_trxframe* fr, struct t_symtab* symtab, char* line);
48 /* read a Gromos96 coordinate or trajectory file, *
49 * returns the number of atoms *
50 * sets what's in the frame in info *
51 * read from fp, infile is only needed for error messages *
52 * nwanted is the number of wanted coordinates, *
53 * set this to -1 if you want to know the number of atoms in the file *
54 * title, atoms, x, v can all be NULL, in which case they won't be read *
55 * line holds the previous line for trajectory reading *
57 * symtab only needs to be valid if fr->atoms is valid
59 * If name is not nullptr, gmx_strdup the first g96 title string into it. */
61 void write_g96_conf(FILE* out, const char* title, const t_trxframe* fr, int nindex, const int* index);
62 /* write a Gromos96 coordinate file or trajectory frame *
63 * index can be NULL */