do j=ielstart(i),ielend(i)
C do j=16,17
C write (iout,*) i,j
- if (j.le.1) cycle
+C if (j.le.1) cycle
if (itype(j).eq.ntyp1.or. itype(j+1).eq.ntyp1
C changes suggested by Ana to avoid out of bounds
c & .or.((j+2).gt.nres)
write (iout,'(a6,2i5,0pf7.3,2i5,2e11.3)')
&'evdw1',i,j,evdwij
&,iteli,itelj,aaa,evdw1
+ write (iout,*) sss
write (iout,'(a6,2i5,0pf7.3,2f8.3)') 'ees',i,j,eesij,
&fac_shield(i),fac_shield(j)
endif