it1=itype(i1,1)
it2=itype(i2,1)
write (iout,'(i3,2x,a,i4,2x,a,i4)') &
- i,restyp(it1),i1,restyp(it2),i2
+ i,restyp(it1,1),i1,restyp(it2,1),i2
enddo
endif
co = 0.0d0
it1=itype(i1,1)
it2=itype(i2,1)
write (iout,'(i3,2x,a,i4,2x,a,i4)') &
- i,restyp(it1),i1,restyp(it2),i2
+ i,restyp(it1,1),i1,restyp(it2,1),i2
enddo
endif
! finding hairpins
ii1=iharp(3,i)
jj1=iharp(4,i)
write (iout,*)
- write (iout,'(20(a,i3,1x))') (restyp(itype(k,1)),k,k=i1,ii1)
- write (iout,'(20(a,i3,1x))') (restyp(itype(k,1)),k,k=j1,jj1,-1)
+ write (iout,'(20(a,i3,1x))') (restyp(itype(k,1),1),k,k=i1,ii1)
+ write (iout,'(20(a,i3,1x))') (restyp(itype(k,1),1),k,k=j1,jj1,-1)
! do k=jj1,j1,-1
! write (iout,'(a,i3,$)') restyp(itype(k,1)),k
! enddo
it1=itype(i1,1)
it2=itype(i2,1)
write (iout,'(i3,2x,a,i4,2x,a,i4,f10.5)') &
- i,restyp(it1),i1,restyp(it2),i2,econt(i)
+ i,restyp(it1,1),i1,restyp(it2,1),i2,econt(i)
enddo
endif
! For given residues keep only the contacts with the greatest energy.
it1=itype(i1,1)
it2=itype(i2,1)
write (iout,'(i3,2x,a,i4,2x,a,i4,f10.5)') &
- i,restyp(it1),i1,restyp(it2),i2,econt(i)
+ i,restyp(it1,1),i1,restyp(it2,1),i2,econt(i)
enddo
endif
return
integer :: ncont,i,j,i1,j1,nbeta,nstrand,ii1,jj1,ij,nhelix,&
iii1,jjj1
integer,dimension(2,12*nres) :: icont !(2,maxcont) (maxcont=12*maxres)
- integer,dimension(nres,4) :: isec !(maxres,4)
+ integer,dimension(nres,0:4) :: isec !(maxres,4)
integer,dimension(nres) :: nsec !(maxres)
logical :: lprint,not_done !,freeres
real(kind=8) :: p1,p2