X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fenergy_p_new.F;h=a57f604214e2ce995f838bafc90dbe9330bd9d5e;hb=6f352fb19a065386a573d715b09235bbdcfdd744;hp=fb18913435cc4daf46f956bdf7c2a19b66cf1132;hpb=48f04f24e913a3e10867d2038b30efcd48a60a9f;p=unres.git diff --git a/source/wham/src-M/energy_p_new.F b/source/wham/src-M/energy_p_new.F index fb18913..a57f604 100644 --- a/source/wham/src-M/energy_p_new.F +++ b/source/wham/src-M/energy_p_new.F @@ -2174,7 +2174,7 @@ C endif num_conti=0 C write (iout,*) 'i',i,' ielstart',ielstart(i),' ielend',ielend(i) do j=ielstart(i),ielend(i) - if (j.le.1) cycle + if (j.lt.1) cycle C if (itype(j).eq.ntyp1 .or. itype(j+1).eq.ntyp1 C & .or.itype(j+2).eq.ntyp1 C &) cycle