subroutine pdbout(ii,temp,efree,etot,entropy,rmsdev)
      implicit real*8 (a-h,o-z)
      include 'DIMENSIONS'
      include 'DIMENSIONS.ZSCOPT'
      include 'COMMON.CHAIN'
      include 'COMMON.INTERACT'
      include 'COMMON.NAMES'
      include 'COMMON.IOUNITS'
      include 'COMMON.HEADER'
      include 'COMMON.SBRIDGE'
      character*50 tytul
      dimension ica(maxres)
      write(ipdb,'("REMARK CONF",i8," TEMPERATURE",f7.1," RMS",0pf7.2)') 
     &  ii,temp,rmsdev
      write (ipdb,'("REMARK DIMENSIONLESS FREE ENERGY",1pe15.5)') 
     &  efree
      write (ipdb,'("REMARK ENERGY",1pe15.5," ENTROPY",1pe15.5)') 
     &  etot,entropy
      iatom=0
      do i=nnt,nct
        ires=i-nnt+1
        iatom=iatom+1
        ica(i)=iatom
        iti=itype(i)
        write (ipdb,10) iatom,restyp(iti),ires,(c(j,i),j=1,3)
        if (iti.ne.10) then
          iatom=iatom+1
          write (ipdb,20) iatom,restyp(iti),ires,(c(j,nres+i),j=1,3)
        endif
      enddo
      write (ipdb,'(a)') 'TER'
      do i=nnt,nct-1
        if (itype(i).eq.10) then
          write (ipdb,30) ica(i),ica(i+1)
        else
          write (ipdb,30) ica(i),ica(i+1),ica(i)+1
        endif
      enddo
      if (itype(nct).ne.10) then
        write (ipdb,30) ica(nct),ica(nct)+1
      endif
      do i=1,nss
        write (ipdb,30) ica(ihpb(i))+1,ica(jhpb(i))+1
      enddo
  10  FORMAT ('ATOM',I7,'  CA  ',A3,I6,4X,3F8.3)
  20  FORMAT ('ATOM',I7,'  CB  ',A3,I6,4X,3F8.3)
  30  FORMAT ('CONECT',8I5)
      return
      end
c------------------------------------------------------------------------------
      subroutine MOL2out(etot,tytul)
C Prints the Cartesian coordinates of the alpha-carbons in the Tripos mol2 
C format.
      implicit real*8 (a-h,o-z)
      include 'DIMENSIONS'
      include 'DIMENSIONS.ZSCOPT'
      include 'COMMON.CHAIN'
      include 'COMMON.INTERACT'
      include 'COMMON.NAMES'
      include 'COMMON.IOUNITS'
      include 'COMMON.HEADER'
      include 'COMMON.SBRIDGE'
      character*32 tytul,fd
      character*3 liczba
      character*6 res_num,pom,ucase
#ifdef AIX
      call fdate_(fd)
#else
      call fdate(fd)
#endif
      write (imol2,'(a)') '#'
      write (imol2,'(a)') 
     & '#         Creating user name:           unres'
      write (imol2,'(2a)') '#         Creation time:                ',
     & fd
      write (imol2,'(/a)') '\@<TRIPOS>MOLECULE'
      write (imol2,'(a)') tytul
      write (imol2,'(5i5)') nct-nnt+1,nct-nnt+nss+1,nct-nnt+nss+1,0,0
      write (imol2,'(a)') 'SMALL'
      write (imol2,'(a)') 'USER_CHARGES'
      write (imol2,'(a)') '\@<TRIPOS>ATOM' 
      do i=nnt,nct
        write (liczba,*) i
        pom=ucase(restyp(itype(i)))
        res_num = pom(:3)//liczba(2:)
        write (imol2,10) i,(c(j,i),j=1,3),i,res_num,0.0
      enddo
      write (imol2,'(a)') '\@<TRIPOS>BOND'
      do i=nnt,nct-1
        write (imol2,'(i5,2i6,i2)') i-nnt+1,i-nnt+1,i-nnt+2,1
      enddo
      do i=1,nss
        write (imol2,'(i5,2i6,i2)') nct-nnt+i,ihpb(i),jhpb(i),1
      enddo
      write (imol2,'(a)') '\@<TRIPOS>SUBSTRUCTURE'
      do i=nnt,nct
        write (liczba,*) i
        pom = ucase(restyp(itype(i)))
        res_num = pom(:3)//liczba(2:)
        write (imol2,30) i-nnt+1,res_num,i-nnt+1,0
      enddo
  10  FORMAT (I7,' CA      ',3F10.4,' C.3',I8,1X,A,F11.4,' ****')
  30  FORMAT (I7,1x,A,I14,' RESIDUE',I13,' ****  ****')
      return
      end
c------------------------------------------------------------------------
      subroutine intout
      implicit real*8 (a-h,o-z)
      include 'DIMENSIONS'
      include 'DIMENSIONS.ZSCOPT'
      include 'COMMON.IOUNITS'
      include 'COMMON.CHAIN'
      include 'COMMON.VAR'
      include 'COMMON.LOCAL'
      include 'COMMON.INTERACT'
      include 'COMMON.NAMES'
      include 'COMMON.GEO'
      write (iout,'(/a)') 'Geometry of the virtual chain.'
      write (iout,'(7a)') '  Res  ','      Dpep','     Theta',
     & '       Phi','       Dsc','     Alpha','      Omega'
      do i=1,nres
	iti=itype(i)
        write (iout,'(a3,i4,6f10.3)') restyp(iti),i,vbld(i+1),
     &     rad2deg*theta(i),
     &     rad2deg*phi(i),vbld(nres+i),rad2deg*alph(i),rad2deg*omeg(i)
      enddo
      return
      end
c---------------------------------------------------------------------------
      subroutine briefout(it,ener)
      implicit real*8 (a-h,o-z)
      include 'DIMENSIONS'
      include 'DIMENSIONS.ZSCOPT'
      include 'COMMON.IOUNITS'
      include 'COMMON.CHAIN'
      include 'COMMON.VAR'
      include 'COMMON.LOCAL'
      include 'COMMON.INTERACT'
      include 'COMMON.NAMES'
      include 'COMMON.GEO'
      include 'COMMON.SBRIDGE'
      print '(a,i5)',intname,igeom
#if defined(AIX) || defined(PGI)
      open (igeom,file=intname,position='append')
#else
      open (igeom,file=intname,access='append')
#endif
      IF (NSS.LE.9) THEN
        WRITE (igeom,180) IT,ENER,NSS,(IHPB(I),JHPB(I),I=1,NSS)
      ELSE
        WRITE (igeom,180) IT,ENER,NSS,(IHPB(I),JHPB(I),I=1,9)
        WRITE (igeom,190) (IHPB(I),JHPB(I),I=10,NSS)
      ENDIF
c     IF (nvar.gt.nphi) WRITE (igeom,200) (RAD2DEG*THETA(I),I=3,NRES)
      WRITE (igeom,200) (RAD2DEG*THETA(I),I=3,NRES)
      WRITE (igeom,200) (RAD2DEG*PHI(I),I=4,NRES)
c     if (nvar.gt.nphi+ntheta) then
        write (igeom,200) (rad2deg*alph(i),i=2,nres-1)
        write (igeom,200) (rad2deg*omeg(i),i=2,nres-1)
c     endif
      close(igeom)
  180 format (I5,F12.3,I2,9(1X,2I3))
  190 format (3X,11(1X,2I3))
  200 format (8F10.4)
      return
      end