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=59be9794bde14291abe01fcdc62da623d4463042;hp=a56e4f88de78b514352c594bb189b373642dc8c6;hpb=80ab2d41741e671bb6a45dfb03bde07457a29daf;p=unres.git diff --git a/source/unres/src-HCD-5D/minimize_p.F b/source/unres/src-HCD-5D/minimize_p.F index a56e4f8..41a1a27 100644 --- a/source/unres/src-HCD-5D/minimize_p.F +++ b/source/unres/src-HCD-5D/minimize_p.F @@ -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 @@ -635,8 +635,7 @@ c v(25)=4.0D0 endif enddo nvarx=k - write (iout,*) "Variables set up nvarx",nvarx - write (iout,*) "Before energy minimization" + call chainbuild_cart call etotal(energia(0)) call enerprint(energia(0)) #ifdef LBFGS