boxshift &readpdb

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

diff --git a/source/unres/src-HCD-5D/minimize_p.F b/source/unres/src-HCD-5D/minimize_p.F
index 377bc47..cea54c4 100644 (file)
--- 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'
@@ -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