X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2Fread_dist_constr.F;h=27fe63a33bace119a8b65e035cae337a4b54edaf;hb=14b55af23c7da34bfdc10f315551c8e01a3a906a;hp=a97f797bbe57257b30c1381310e63c86fbbbe613;hpb=dd6b6b032024dfa86d8ed7622a72194c45b97cce;p=unres.git diff --git a/source/wham/src-M/read_dist_constr.F b/source/wham/src-M/read_dist_constr.F index a97f797..27fe63a 100644 --- a/source/wham/src-M/read_dist_constr.F +++ b/source/wham/src-M/read_dist_constr.F @@ -110,7 +110,13 @@ C & nhpb,ihpb(nhpb),jhpb(nhpb),dhpb(nhpb),forcon(nhpb) endif if (forcon(nhpb+1).gt.0.0d0) then nhpb=nhpb+1 - dhpb(nhpb)=dist(ihpb(nhpb),jhpb(nhpb)) + if (ibecarb(i).gt.0) then + ihpb(i)=ihpb(i)+nres + jhpb(i)=jhpb(i)+nres + endif + if (dhpb(nhpb).eq.0.0d0) + & dhpb(nhpb)=dist(ihpb(nhpb),jhpb(nhpb)) +C dhpb(nhpb)=dist(ihpb(nhpb),jhpb(nhpb)) write (iout,'(a,3i5,f8.2,f10.1)') "+dist.constr ", & nhpb,ihpb(nhpb),jhpb(nhpb),dhpb(nhpb),forcon(nhpb) endif