/* MOPAC INT */
int rmopint(char *filename, int *atomnum, ATOM * atom, CONTROLINFO cinfo,
			MOLINFO minfo)
{
	FILE *fpin;
	int index;
	int numatom;
	int overflow_flag = 0;
	int tmpint1, tmpint2, tmpint3;
	int tmpint4, tmpint5, tmpint6;
	char line[MAXCHAR];
	char tmpchar[20];
	double tmpfloat1, tmpfloat2, tmpfloat3;

	if ((fpin = fopen(filename, "r")) == NULL) {
		fprintf(stdout, "Cannot open file %s to read in rmopint(), exit\n", filename);
		exit(1);
	}
	initial(cinfo.maxatom, atom, minfo.resname);
	index = 0;
	numatom = 0;
	for (;;) {
		if (fgets(line, MAXCHAR, fpin) == NULL) {
/*       printf("\nFinished reading %s file.", cinfo.ifilename); */
			break;
		}
		index++;
		if (index < 4)
			continue;
		sscanf(line, "%s%lf%d%lf%d%lf%d%d%d%d", tmpchar, &tmpfloat1,
			   &tmpint1, &tmpfloat2, &tmpint2, &tmpfloat3, &tmpint3,
			   &tmpint4, &tmpint5, &tmpint6);
		if (spaceline(line) == 1)
			break;
		if (overflow_flag == 0) {
			strcpy(atom[numatom].name, tmpchar);
			atom[numatom].bond = tmpfloat1;
			atom[numatom].bondatom = tmpint4 - 1;
			atom[numatom].angle = tmpfloat2;
			atom[numatom].angleatom = tmpint5 - 1;
			atom[numatom].twist = tmpfloat3;
			atom[numatom].twistatom = tmpint6 - 1;

                        if(atom[numatom].bondatom >= numatom) {
                                printf("\nError: bond atom ID is larger than ID of current atom (%d,%s), exit",
                                        numatom+1,  atom[numatom].name);
                                exit(1);
                        }
                        if(atom[numatom].angleatom >= numatom) {
                                printf("\nError: angle atom ID is larger than ID of current atom (%d,%s), exit",
                                        numatom+1,  atom[numatom].name);
                                exit(1);
                        }
                        if(atom[numatom].twistatom >= numatom) {
                                printf("\nError: torsional atom ID is larger than ID of current atom (%d,%s), exit",
                                        numatom+1,  atom[numatom].name);
                                exit(1);
                        }
		}
		numatom++;
		if (numatom >= cinfo.maxatom && overflow_flag == 0) {
			printf
				("\nInfo: the atom number exceeds the MAXATOM, reallocate memory automatically");
			overflow_flag = 1;
		}
	}
	*atomnum = numatom;
/* printf("\n atom number is  %5d", *atomnum); */
	fclose(fpin);
	return overflow_flag;
}
void wmopint(char *filename, int atomnum, ATOM atom[], MOLINFO minfo)
{
	FILE *fpout;
	int i;

	if ((fpout = fopen(filename, "w")) == NULL) {
		fprintf(stdout, "Cannot open file %s to write in wmopint(), exit\n", filename);
		exit(1);
	}
	intercoord(atomnum, atom);
	fprintf(fpout, "%s", minfo.ekeyword);
	fprintf(fpout, " CHARGE=%d\n", minfo.icharge);
	fprintf(fpout, "%s\n", "remark line goes here\n");
	element(atomnum, atom);
	for (i = 0; i < atomnum; i++)
		fprintf(fpout,
				"%5s%12.4lf  1  %12.4lf  1  %12.4lf  1  %5d%5d%5d \n",
				atom[i].element, atom[i].bond, atom[i].angle,
				atom[i].twist, atom[i].bondatom + 1, atom[i].angleatom + 1,
				atom[i].twistatom + 1);
	fprintf(fpout, "\n");
	fclose(fpout);
}