X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fminimize_p.F;h=cea54c43d652a619900c1c27128d41b6150dde7f;hb=de4daf245936d67b5c08eb584fca985adab9928e;hp=6b9d204f5ff8d23812e3047289a34d2889cf3ac6;hpb=c711143ad3fffb04d27b55aa823f399b8343c4c5;p=unres.git

diff --git a/source/unres/src-HCD-5D/minimize_p.F b/source/unres/src-HCD-5D/minimize_p.F
index 6b9d204..cea54c4 100644
--- a/source/unres/src-HCD-5D/minimize_p.F
+++ b/source/unres/src-HCD-5D/minimize_p.F
@@ -34,7 +34,7 @@
       external funcgrad
       external optsave
 #else
-      dimension iv(liv)                                               
+      integer iv(liv)                                               
       double precision v(1:lv)
       common /przechowalnia/ v
       integer idum
@@ -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'
@@ -634,7 +635,9 @@ c     v(25)=4.0D0
         endif
       enddo
       nvarx=k
-      write (iout,*) "Variables set up nvarx",nvarx
+      call chainbuild_cart
+      call etotal(energia(0))
+      call enerprint(energia(0))
 #ifdef LBFGS
 c
 c     From tinker