X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fminimize_p.F;h=ef24c0c7735950078db8ab610443573411d54e71;hb=00ff2d632b212c4d4a388e8f7f5394763b65e3bb;hp=326c02d032567177a758a417bfd67c2bd12aab0d;hpb=d09b54932dd8b227a90f50766bae56f6bf66189c;p=unres.git diff --git a/source/unres/src_MD-M/minimize_p.F b/source/unres/src_MD-M/minimize_p.F index 326c02d..ef24c0c 100644 --- a/source/unres/src_MD-M/minimize_p.F +++ b/source/unres/src_MD-M/minimize_p.F @@ -263,7 +263,7 @@ c endif cd print *,'func',nf,nfl,icg call var_to_geom(n,x) call zerograd - call chainbuild + call chainbuild_extconf cd write (iout,*) 'ETOTAL called from FUNC' call etotal(energia(0)) call sum_gradient @@ -297,7 +297,7 @@ c endif icg=mod(nf,2)+1 call var_to_geom_restr(n,x) call zerograd - call chainbuild + call chainbuild_extconf cd write (iout,*) 'ETOTAL called from FUNC' call etotal(energia(0)) call sum_gradient