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=a56e4f88de78b514352c594bb189b373642dc8c6;hpb=cf4da5a9f21b849afd840360ba40787a35583c71;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..cea54c4 100644 --- a/source/unres/src-HCD-5D/minimize_p.F +++ b/source/unres/src-HCD-5D/minimize_p.F @@ -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