no stop after Bad Cartesians in wham
authorCezary Czaplewski <czarek@piasek3.chem.univ.gda.pl>
Fri, 20 Jul 2018 12:02:26 +0000 (14:02 +0200)
committerCezary Czaplewski <czarek@piasek3.chem.univ.gda.pl>
Fri, 20 Jul 2018 12:02:26 +0000 (14:02 +0200)
source/wham/src-M/readpdb.f

index 3e7ecb3..8762ebb 100644 (file)
@@ -337,7 +337,7 @@ c---------------------------------------------------------------------------
         if (iti.ne.ntyp1 .and. itype(i+1).ne.ntyp1 .and. 
      &      (dist(i,i+1).lt.2.0D0 .or. dist(i,i+1).gt.5.0D0)) then
           write (iout,'(a,i4)') 'Bad Cartesians for residue',i
-          stop
+c          stop
         endif
         vbld(i+1)=dist(i,i+1)
         vbld_inv(i+1)=1.0d0/vbld(i+1)