X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fregularize.f90;h=70214b7085344e52c6dff5454d237b4d20dcb929;hb=9978233a8f362a38c9d5929a421ac612aed6bf7e;hp=0eb81e5b8f8f30c7196483167ae9ec72c6777634;hpb=299e2c41124d3fa8adba7244716515a2cc160ed1;p=unres4.git diff --git a/source/unres/regularize.f90 b/source/unres/regularize.f90 index 0eb81e5..70214b7 100644 --- a/source/unres/regularize.f90 +++ b/source/unres/regularize.f90 @@ -45,6 +45,7 @@ ' nstart_seq=',nstart_seq,' nstart_sup',nstart_sup write (iout,'(/a/)') 'Initial energies:' call geom_to_var(nvar,varia) + write(iout,*) 'Warning: Calling chainbuild' call chainbuild call etotal(energia) etot=energia(0)