X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fminimize_p.F;h=41a1a2759993ed5cf489951ce7fa38049e3a56c8;hb=57038e4bdff4cc9534106b25bfbd4b9a844d47fd;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..41a1a27 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
@@ -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