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7 * GROningen MAchine for Chemical Simulations
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33 * Groningen Machine for Chemical Simulation
35 #ifndef GMX_GMX_NM2TYPE_H
36 #define GMX_GMX_NM2TYPE_H
48 extern t_nm2type *rd_nm2type(const char *ffdir, int *nnm);
49 /* Read the name 2 type database. nnm is the number of entries
50 * ff is the force field.
53 extern void dump_nm2type(FILE *fp, int nnm, t_nm2type nm2t[]);
54 /* Dump the database for debugging. Can be reread by the program */
56 extern int nm2type(int nnm, t_nm2type nm2t[], t_symtab *tab, t_atoms *atoms,
57 gpp_atomtype_t atype, int *nbonds, t_params *bond);
58 /* Try to determine the atomtype (force field dependent) for the atoms
59 * with help of the bond list