X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fenergy_p_new_barrier.F;h=6d6a8179d771190533718b618b6bf9f381dc5001;hb=e21f01074d00b176ae74cde1acff1e1295c0a3a5;hp=6d5b25f8e620bbfb46f3d084bd40439101519a7d;hpb=b8621d392bf3be03d180598e133125736674d0e4;p=unres.git diff --git a/source/unres/src-HCD-5D/energy_p_new_barrier.F b/source/unres/src-HCD-5D/energy_p_new_barrier.F index 6d5b25f..6d6a817 100644 --- a/source/unres/src-HCD-5D/energy_p_new_barrier.F +++ b/source/unres/src-HCD-5D/energy_p_new_barrier.F @@ -2044,7 +2044,8 @@ c write(iout,*) "PO ZWYKLE", evdwij if (energy_dec) write (iout,'(a6,2i5,0pf7.3,a3)') & 'evdw',i,j,evdwij,' ss' C triple bond artifac removal - do k=j+1,iend(i,iint) +c do k=j+1,iend(i,iint) + do k=j+1,nct C search over all next residues if (dyn_ss_mask(k)) then C check if they are cysteins