X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Funres.F;h=be40e755f42f94135c1bd159f72ca371dd8434a8;hb=fb796f6ccc7879c3ae3d07e87499aaa430469deb;hp=08caadea92be6f3ab54697db7620cd9f18bed852;hpb=7c5373260289072f6022e1d937ab775fc820e6a2;p=unres.git

diff --git a/source/unres/src-HCD-5D/unres.F b/source/unres/src-HCD-5D/unres.F
index 08caade..be40e75 100644
--- 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