C C $Id: wrtint.F,v 1.2 1998/07/16 16:40:54 jjv5 Exp arjan $ C C------------------------------------------------------------------------ SUBROUTINE WRTINT C C-RDC C WRITES OUT INTERNAL COORDINATES TO UNIT IOUT. C IMPLICIT DOUBLE PRECISION (A-H,O-Z) #include "divcon.dim" #include "divcon.h" C DIMENSION ZTEMP(3) C C C-RDC WRITE(IOUT,10) 10 FORMAT(/3X,'ATOM',2X,'ELEMENTAL',2X,'BOND LENGTH',4X, . 'BOND ANGLE',4X,'DIHEDRAL ANGLE'/2X,'NUMBER',2X,'SYMBOL', . 4X,'(ANGSTROMS)',4X,'(DEGREES)',7X,'(DEGREES)'/5X,'I', . 17X,'I-NA',9X,'I-NA-NB',8X,'I-NA-NB-NC',6X,'NA',3X,'NB', . 3X,'NC'/) DO 100 I=1,NATOMS IAT = IATNUM(I) ZTEMP(1) = ZMAT(1,I) ZTEMP(2) = ZMAT(2,I)*DEGREE ZTEMP(3) = ZMAT(3,I)*DEGREE C C KEEP DIHEDRAL IN RANGE -180 TO +180 C ABSZ = ABS(ZTEMP(3)) IF(ABSZ.GT.180.0D0)THEN ZTEMP(3) = ZTEMP(3) - SIGN(360.0D0,ZTEMP(3)) ENDIF C C-RDC WRITE(IOUT,20) I,SYMBOL(IAT),(ZTEMP(J),IOPT(J,I),J=1,3), C-RDC . (IZMAT(J,I),J=1,3) 20 FORMAT(1X,I5,6X,A2,5X,F9.5,2X,I1,2X,F10.5,2X,I1,3X,F10.5,2X, . I1,2X,3I5) 100 CONTINUE RETURN END