Adam's corrections

[unres.git] / source / unres / src-HCD-5D / unres.F

diff --git a/source/unres/src-HCD-5D/unres.F b/source/unres/src-HCD-5D/unres.F
index 08caade..be40e75 100644 (file)
--- a/source/unres/src-HCD-5D/unres.F
+++ b/source/unres/src-HCD-5D/unres.F
@@ -339,6 +339,7 @@ c          print *,'Calling MINIMIZE.'
           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