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no stop Bad cartesian readpdb cluster
[unres.git]
/
source
/
cluster
/
wham
/
src-M
/
readpdb.f
diff --git
a/source/cluster/wham/src-M/readpdb.f
b/source/cluster/wham/src-M/readpdb.f
index
856db5f
..
5913aa6
100644
(file)
--- a/
source/cluster/wham/src-M/readpdb.f
+++ b/
source/cluster/wham/src-M/readpdb.f
@@
-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)