X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fcontact.f;h=cc4e0b7ae941d59a250079c052b7d065d40d8a66;hb=34d3ad3987785642be58fb2f26557d3314215577;hp=a244d860c0c95ff73829538df4d7c22f4a71cbfc;hpb=f690e8b70bab14132839afebf080d4a28363b226;p=unres.git diff --git a/source/unres/src_MD-M/contact.f b/source/unres/src_MD-M/contact.f index a244d86..cc4e0b7 100644 --- a/source/unres/src_MD-M/contact.f +++ b/source/unres/src_MD-M/contact.f @@ -12,9 +12,9 @@ ncont=0 kkk=3 do i=nnt+kkk,nct - iti=itype(i) + iti=iabs(itype(i)) do j=nnt,i-kkk - itj=itype(j) + itj=iabs(itype(j)) if (ipot.ne.4) then c rcomp=sigmaii(iti,itj)+1.0D0 rcomp=facont*sigmaii(iti,itj) @@ -175,7 +175,7 @@ c do i=1,nharp c write (iout,*)'i',i,' iharp',(iharp(k,i),k=1,4) c enddo if (lprint) then - write (iout,*) "Hairpins:" + write (iout,*) "Hairpins:",nharp do i=1,nharp i1=iharp(1,i) j1=iharp(2,i)