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root/freemol/trunk/src/mengine/src/initiali.c

#	Line 17 | Line 17
17		void InitialTransform(void);
18		void zero_data(void);
19		void read_datafiles(char *);
20	<	void initialize_pcmodel(char*);
20	>	void initialize_pcmodel(char *);
21		void fixdisreset(void);
22		void coordreset(void);
23		void ddrivereset(void);
#	Line 105 | Line 105
105		printf("%s\n",astring);
106		}
107		// ===================================
108	<	void initialize_pcmodel(char *mmxfile)
108	>	void initialize_pcmodel(char *pfile)
109		{
110		int i;
111		char string[256];
#	Line 116 | Line 116
116		use_external_chrg = FALSE;
117		use_gast_chrg = FALSE;
118		zero_data();
119	<	strcpy(string,mmxfile);
120	<	read_datafiles(string);
119	>	//        strcpy(string,mmxfile);
120	>	read_datafiles(pfile);
121		set_field();
122		// initialize atom definitions
123		atom_def.natomtype = atom_k.natomtype;

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