corrections

[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 6b9d204..41a1a27 100644 (file)
--- 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
@@ -198,8 +198,8 @@ c----------------------------------------------------------------------------
       include 'COMMON.TIME1'
       double precision z(maxres6),d_a_tmp(maxres6)
       double precision edum(0:n_ene),time_order(0:10)
-      double precision Gcopy(maxres2,maxres2)
-      common /przechowalnia/ Gcopy
+c      double precision Gcopy(maxres2,maxres2)
+c      common /przechowalnia/ Gcopy
       integer icall /0/
       integer i,j,iorder
 C Workers wait for variables and NF, and NFL from the boss 
@@ -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