C $Id: rdall.F,v 1.7 1999/04/06 20:57:32 arjan Exp arjan $ C C------------------------------------------------------------------------ SUBROUTINE RDALL(IERROR) C C DRIVER SUBROUTINE FOR READING AND PROCESSING ALL INPUT. C IMPLICIT DOUBLE PRECISION (A-H,O-Z) #include "divcon.dim" #include "divcon.h" C C C GET ATOMIC COORDINATES. DEFAULT IS INTERNAL. CHECK FOR RESTART C FILE TOO. C c IF(.not.CART)THEN c CALL RDINT(IERROR) c IF(IERROR.NE.0) RETURN c CALL RDRST(IERROR) c IF(IERROR.NE.0) RETURN c IFIRST = 1 c CALL GETXYZ1(NATOMS,ZMAT,IZMAT,IFIRST,XYZ,IERROR) c IF(IERROR.NE.0) RETURN c IF((INDEX(KEYWRD,'PRTCOORDS').NE.0) c . .AND.(MYID.EQ.0)) CALL WRTXYZ c ELSE c IF(PDB) THEN C . VG- 3/5/99 - Read geometry from pdb file c CALL RDPDB(IERROR) c IF(IERROR.NE.0) RETURN c ELSE C . Read geometry from divcon input file c CALL RDXYZ(IERROR) c c IF(IERROR.NE.0) RETURN c ENDIF c CALL RDRST(IERROR) c IF(IERROR.NE.0) RETURN c ENDIF C IF(NRES.GT.0)THEN if(screen) then WRITE(IOUT,'(//" NUMBER OF RESIDUES = ",I6, . /" RESIDUE POINTERS:")') NRES WRITE(IOUT,'(12I6)') (IRPNT(I),I=1,NRES) write(iout,*) endif ENDIF C C READ IN TRAILING LINES OF INPUT FILE (SUBSETTING ETC) C call rdtail(ierror) if (ierror.ne.0) return ! if ((.not.recipintr).and.(ngroup.eq.0).and.pme) then ! write(iout,'(/" ERROR: NO GROUPS ARE SPECIFIED")') ! ierror = 1 ! return ! endif C natoms3 = 3*natoms natoms4 = 4*natoms nres3 = 3*nres RETURN END