ibeg=1
ishift1=0
sccalc=.false.
- ires=0
do
read (ipdbin,'(a80)',end=10) card
-c write (iout,'(a)') card
+! write (iout,'(a)') card
if (card(:5).eq.'HELIX') then
nhfrag=nhfrag+1
lsecondary=.true.
iterter(ires_old)=1
ishift1=ishift1+1
ibeg=2
- write (iout,*) "Chain ended",ires,ishift,ires_old
+! write (iout,*) "Chain ended",ires,ishift,ires_old
if (unres_pdb) then
do j=1,3
dc(j,ires)=sccor(j,iii)
! Start a new chain
ishift=-ires_old+ires-1 !!!!!
ishift1=ishift1-1 !!!!!
- write (iout,*) "New chain started",ires,ishift,ishift1,"!"
+! write (iout,*) "New chain started",ires,ishift,ishift1,"!"
ires=ires-ishift+ishift1
ires_old=ires
ibeg=0
if (itype(i-1).ne.ntyp1 .and. itype(i).ne.ntyp1 .and.
& (dist(i,i-1).lt.1.0D0 .or. dist(i,i-1).gt.6.0D0)) then
write (iout,'(a,i4)') 'Bad Cartesians for residue',i
- stop
+c stop
endif
vbld(i)=dist(i-1,i)
vbld_inv(i)=1.0d0/vbld(i)