iterter(i)=0
enddo
ibeg=1
+ ishift=0
ishift1=0
lsecondary=.false.
nhfrag=0
if (atom.eq.'CA' .or. atom.eq.'CH3' .or.
& res.eq.'NHE'.and.atom(:2).eq.'HN') then
read(card(31:54),'(3f8.3)') (c(j,ires),j=1,3)
+ read(card(61:66),*) bfac(ires)
c write (iout,*) "backbone ",atom
c write (iout,*) ires,res,(c(j,ires),j=1,3)
#ifdef DEBUG
endif
enddo
10 if(me.eq.king.or..not.out1file)
- & write (iout,'(a,i5)') ' Nres: ',ires
+ & write (iout,'(a,i7)') ' Nres: ',ires
c write (iout,*) "iii",iii
C Calculate dummy residue coordinates inside the "chain" of a multichain
C system
write (iout,'(/a)')
& "Cartesian coordinates of the reference structure"
write (iout,'(a,3(3x,a5),5x,3(3x,a5))')
- & "Residue ","X(CA)","Y(CA)","Z(CA)","X(SC)","Y(SC)","Z(SC)"
+ & "Residue ","X(CA)","Y(CA)","Z(CA)","X(SC)","Y(SC)","Z(SC)"
do ires=1,nres
- write (iout,'(a3,1x,i4,3f8.3,5x,3f8.3)')
+ write (iout,'(a3,1x,i6,3f8.3,5x,3f8.3)')
& restyp(itype(ires)),ires,(c(j,ires),j=1,3),
& (c(j,ires+nres),j=1,3)
enddo
endif
enddo
10 if(me.eq.king.or..not.out1file)
- & write (iout,'(a,i5)') ' Nres: ',ires
+ & write (iout,'(a,i7)') ' Nres: ',ires
C Calculate dummy residue coordinates inside the "chain" of a multichain
C system
nres=ires