X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fminim.F90;h=73b6fd29f1551298f81fec16479a2b31879ae5de;hb=52d6371a0781ac6214af501666a2fbffbded3a40;hp=4d3115c2978a46f34e28339b876c7ab6754d5370;hpb=a280f55746ca567cfd02f1184da61a28fbe9ebc7;p=unres4.git diff --git a/source/unres/minim.F90 b/source/unres/minim.F90 index 4d3115c..73b6fd2 100644 --- a/source/unres/minim.F90 +++ b/source/unres/minim.F90 @@ -4412,8 +4412,8 @@ n_try=0 do while (n_try.lt.n_maxtry .and. orig_e-cur_e.lt.e_drop) ! Move the selected residue (don't worry if it fails) - call gen_side(iabs(itype(res_pick,1)),theta(res_pick+1),& - alph(res_pick),omeg(res_pick),fail) + call gen_side(iabs(itype(res_pick,molnum(res_pick))),theta(res_pick+1),& + alph(res_pick),omeg(res_pick),fail,molnum(res_pick)) ! Minimize the side-chains starting from the new arrangement call geom_to_var(nvar,var)