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=05c1789531ec3f44dfebf41b426cb1204329e7ff;hp=a56e4f88de78b514352c594bb189b373642dc8c6;hpb=df5ad6c769f328b01ef15673420b789f998f0d83;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