X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2Freadpdb.F;h=69ec3e136181725ae8b27745c8c141829c8562f0;hb=e3a8e8d61d7f6f11117e3b4b70e551f04f198b1c;hp=dacd12d2f2b29a8aa6975739283bb4f7e2755e09;hpb=4d5f4674e86e6debc71c19e681c3c57e075f231d;p=unres.git diff --git a/source/unres/src_CSA_DiL/readpdb.F b/source/unres/src_CSA_DiL/readpdb.F index dacd12d..69ec3e1 100644 --- a/source/unres/src_CSA_DiL/readpdb.F +++ b/source/unres/src_CSA_DiL/readpdb.F @@ -258,6 +258,9 @@ c endif enddo iti=itype(i) di=dist(i,nres+i) +C 10/03/12 Adam: Correction for zero SC-SC bond length + if (itype(i).ne.10 .and. itype(i).ne.21. and. di.eq.0.0d0) + & di=dsc(itype(i)) vbld(i+nres)=di if (itype(i).ne.10) then vbld_inv(i+nres)=1.0d0/di