X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD%2Freadpdb.F;h=55dcc04de22bb65a7372fb8bad28a9aa37742be9;hb=225ad1b2239a64aee5d46570c477e74c19cf6ef7;hp=8a85b8cc1760b86512f9df5f2b1ff172a925c21e;hpb=5aac27f7c6317fa0975184363614b42716034716;p=unres.git diff --git a/source/wham/src-HCD/readpdb.F b/source/wham/src-HCD/readpdb.F index 8a85b8c..55dcc04 100644 --- a/source/wham/src-HCD/readpdb.F +++ b/source/wham/src-HCD/readpdb.F @@ -325,7 +325,7 @@ c write (iout,*) i,i-1,(c(j,i),j=1,3),(c(j,i-1),j=1,3),dist(i,i-1) if (itype(i-1).ne.ntyp1 .and. itype(i).ne.ntyp1 .and. & (dist(i,i-1).lt.1.0D0 .or. dist(i,i-1).gt.6.0D0)) then write (iout,'(a,i4)') 'Bad Cartesians for residue',i - stop +c stop endif vbld(i)=dist(i-1,i) vbld_inv(i)=1.0d0/vbld(i)