jjj=jjj+1
chalen=int((nct-nnt+2)/symetr)
call int_from_cart1(.false.)
- do j=nnt+1,nct
+ do j=nnt+1,nct-1
mnum=molnum(j)
+ write (iout,*) "Check atom",j
if (mnum.eq.5) cycle
if (itype(j,mnum).eq.ntyp1_molec(mnum)) cycle
if (itype(j+1,molnum(j+1)).eq.ntyp1_molec(molnum(j+1))) cycle