* These routines handle reading and writing of preprocessed
* topology files in any of the following formats:
* TPR : topology in XDR format, portable accross platforms
- * TPB : binary topology, not portable accross platforms
- * TPA : ascii topology (possibbly huge)
* TRR : trajectory in XDR format (non compressed)
- * TRJ : trajectory in binary format
*
* Files are written in the precision with which the source are compiled,
* but double and single precision can be read by either.
void write_tpx_state(const char *fn,
t_inputrec *ir, t_state *state, struct gmx_mtop_t *mtop);
/* Write a file, and close it again.
- * If fn == NULL, an efTPA file will be written to stdout (which
- * will not be closed afterwards)
*/
void read_tpx_state(const char *fn,
t_inputrec *ir, matrix box, int *natoms,
rvec *x, rvec *v, rvec *f, struct gmx_mtop_t *mtop);
/* Read a file, and close it again.
- * If fn == NULL, an efTPA file will be read from stdin (which
- * will not be closed afterwards)
* When step, t or lambda are NULL they will not be stored.
* Returns ir->ePBC, if it could be read from the file.
*/