-! if (iabs(itype(i)).eq.ntyp1) cycle
- write (iout,*) "i",i," itype",itype(i),ntyp1
- if (iabs(itype(i)).ne.10 .and. iabs(itype(i)).ne.ntyp1) then
+ mnum=molnum(i)
+! if (iabs(itype(i,1)).eq.ntyp1) cycle
+ write (iout,*) "i",i," itype",itype(i,1),ntyp1
+ if (iabs(itype(i,1)).ne.10 .and. &
+ iabs(itype(i,mnum)).ne.ntyp1_molec(mnum) .and. mnum.ne.5) then