X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Fcontact.f;h=695446f16f0dad757ce0d58a64a0f7e4e0132eb7;hb=a05e8996b6fb955dc21aef7a85db21ee73d0a9d3;hp=cc4e0b7ae941d59a250079c052b7d065d40d8a66;hpb=c711143ad3fffb04d27b55aa823f399b8343c4c5;p=unres.git diff --git a/source/unres/src-HCD-5D/contact.f b/source/unres/src-HCD-5D/contact.f index cc4e0b7..695446f 100644 --- a/source/unres/src-HCD-5D/contact.f +++ b/source/unres/src-HCD-5D/contact.f @@ -114,11 +114,13 @@ c---------------------------------------------------------------------------- kkk=0 c print *,'nnt=',nnt,' nct=',nct do i=nnt,nct-3 + if (itype(i).eq.ntyp1) cycle do k=1,3 c(k,2*nres+1)=0.5d0*(c(k,i)+c(k,i+1)) enddo do j=i+2,nct-1 do k=1,3 + if (itype(j).eq.ntyp1) cycle c(k,2*nres+2)=0.5d0*(c(k,j)+c(k,j+1)) enddo if (dist(2*nres+1,2*nres+2).lt.rcomp) then