endif
if (overlapsc) then
-c print *, 'Calling OVERLAP_SC'
+ write (iout,*) 'Calling OVERLAP_SC'
call overlap_sc(fail)
-c print *,"After overlap_sc"
+ write (iout,*) "After overlap_sc"
endif
if (searchsc) then
potE=etot
call cartoutx(0.0d0)
endif
+ if (outpdb) call pdbout(etot,titel(:50),ipdb)
if (refstr) call rms_nac_nnc(rms,frac,frac_nn,co,.true.)
#ifdef LBFGS
write (iout,'(a,a9)') 'LBFGS return code:',status