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40 static char *SRCID_mdatoms_h = "$Id$";
47 extern t_mdatoms *atoms2md(FILE *fp,t_atoms *atoms,ivec nFreeze[],
48 bool bBD,real delta_t,real fric,real tau_t[],
49 bool bPert,bool bFree);
50 /* This routine copies the atoms->atom struct into a t_mdatoms struct
51 * and then frees the atoms->atom struct if bFree is set.
54 extern void md2atoms(t_mdatoms *md,t_atoms *atoms,bool bFree);