no stop Bad cartesian readpdb cluster
authorCezary Czaplewski <czarek@piasek3.chem.univ.gda.pl>
Fri, 20 Jul 2018 12:12:01 +0000 (14:12 +0200)
committerCezary Czaplewski <czarek@piasek3.chem.univ.gda.pl>
Fri, 20 Jul 2018 12:12:01 +0000 (14:12 +0200)
source/cluster/wham/src-M/readpdb.f

index 856db5f..5913aa6 100644 (file)
@@ -298,7 +298,7 @@ c        write (iout,*) i,dist(i,i-1)
         if ((dist(i,i-1).lt.2.0D0 .or. dist(i,i-1).gt.5.0D0)
      &.and.(iti.ne.ntyp1).and.(itype(i-1).ne.ntyp1)) then
           write (iout,'(a,i4)') 'Bad Cartesians for residue',i
-          stop
+c          stop
         endif
         theta(i+1)=alpha(i-1,i,i+1)
         if (i.gt.2) phi(i+1)=beta(i-2,i-1,i,i+1)