X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fminimize_p.F;h=a56e4f88de78b514352c594bb189b373642dc8c6;hb=5836ecdab5a8b95f079bbf6e07374dee3fce8a26;hp=377bc47113745ed20c3d441c3b87d4cf6342d429;hpb=a05e8996b6fb955dc21aef7a85db21ee73d0a9d3;p=unres.git

diff --git a/source/unres/src-HCD-5D/minimize_p.F b/source/unres/src-HCD-5D/minimize_p.F
index 377bc47..a56e4f8 100644
--- a/source/unres/src-HCD-5D/minimize_p.F
+++ b/source/unres/src-HCD-5D/minimize_p.F
@@ -566,6 +566,7 @@ c----------------------------------------------------------
 #endif
       double precision g(maxvar),f1
       integer nvarx
+      double precision energia(0:n_ene)
 #ifdef LBFGS
       maxiter=maxmin
       coordtype='CARTESIAN'
@@ -635,6 +636,9 @@ c     v(25)=4.0D0
       enddo
       nvarx=k
       write (iout,*) "Variables set up nvarx",nvarx
+      write (iout,*) "Before energy minimization"
+      call etotal(energia(0))
+      call enerprint(energia(0))
 #ifdef LBFGS
 c
 c     From tinker