--- /dev/null
+ implicit none
+ double precision vec(3,1000,20),xtemp,ytemp,ztemp
+cc vector is in the sequence: position, number of atom, number of chain
+ character*80 inname,outname,incontrol
+ character*8 junk
+ character*3 atype(1000),restyp(1000),atyptemp,resttemp,chain
+ integer natoms,i,ncopies,atnum,renum(1000),irestemp,actatom
+ integer unres,k,j,nrep
+ double precision occupan(1000),tempfact(1000),occutemp,temptemp
+ call getarg(1,inname)
+ call getarg(2,outname)
+ call getarg(3,incontrol)
+ k=18
+ call RNUNF(k)
+ write (*,*) k
+ open (6,file=incontrol, status='old')
+ read (6,*) natoms,ncopies,unres
+ open (1,file=inname, status='old')
+ if (unres.eq.0) then
+ do i=1,natoms
+ read (1,*) junk,atnum,atyptemp,resttemp,chain,irestemp,xtemp,
+ &ytemp, ztemp,occutemp,temptemp
+ vec(1,i,1)=xtemp
+ vec(2,i,1)=ytemp
+ vec(3,i,1)=ztemp
+ atype(i)=atyptemp
+ restyp(i)=resttemp
+ renum(i)=irestemp
+ occupan(i)=occutemp
+ tempfact(i)=temptemp
+ enddo
+ endif
+ if (unres.ne.0) then
+ do i=1,natoms
+ read (1,*) junk,atnum,atyptemp,resttemp,irestemp,xtemp,ytemp,
+ &ztemp
+ vec(1,i,1)=xtemp
+ vec(2,i,1)=ytemp
+ vec(3,i,1)=ztemp
+ atype(i)=atyptemp
+ restyp(i)=resttemp
+ occupan(i)=1.0
+ tempfact(i)=10.0
+ renum(i)=irestemp
+ enddo
+ endif
+ write (*,*) "end of reading"
+ open (4,file=outname)
+ junk="ATOM "
+ do k=1,ncopies
+ if (k.eq.1) chain=" A"
+ do i=1,natoms
+ actatom=natoms*(k-1)+i
+ write (4,'(a8,i3,a4,a4,a2,i3,f12.3,2f8.3,2f6.2)') junk, actatom
+ &, atype(i),restyp(i),chain,
+ &renum(i), (vec(j,i,k),j=1,3),occupan(i),tempfact(i)
+ enddo
+ write (4,'(a3)') "TER"
+ enddo
+ end
+