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33 * Gallium Rubidium Oxygen Manganese Argon Carbon Silicon
42 #include "gpp_atomtype.h"
44 extern double check_mol(gmx_mtop_t
*mtop
,warninp_t wi
);
45 /* Check mass and charge */
47 extern char **do_top(bool bVerbose
,
49 const char *topppfile
,
54 int *combination_rule
,
55 double *repulsion_power
,
62 gmx_molblock_t
**molblock
,
67 /* This routine expects sys->molt[m].ilist to be of size F_NRE and ordered. */
68 void generate_qmexcl(gmx_mtop_t
*sys
,t_inputrec
*ir
);