X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fenergy_p_new_barrier.F;fp=source%2Funres%2Fsrc_MD%2Fenergy_p_new_barrier.F;h=2755be8d524e7ddde9e89ad0d3301ec40c518e57;hb=62e5c36dfb2d05728ddba047bae10c9cf3287e38;hp=cc43a72249cadb256742c6b5b63f8919ec04d225;hpb=0b2de74525356cd5914cfe29e6c6d7700c95d996;p=unres.git diff --git a/source/unres/src_MD/energy_p_new_barrier.F b/source/unres/src_MD/energy_p_new_barrier.F index cc43a72..2755be8 100644 --- a/source/unres/src_MD/energy_p_new_barrier.F +++ b/source/unres/src_MD/energy_p_new_barrier.F @@ -5972,6 +5972,7 @@ c write (iout,*) "EBACK_SC_COR",iphi_start,iphi_end,nterm_sccor esccor=0.0D0 do i=itau_start,itau_end esccor_ii=0.0D0 + if ((itype(i-2).eq.ntyp1).or(itype(i-1).eq.ntyp1)) cycle isccori=isccortyp(itype(i-2)) isccori1=isccortyp(itype(i-1)) phii=phi(i)