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no stop after Bad Cartesians in wham
[unres.git]
/
source
/
wham
/
src-M
/
readpdb.f
diff --git
a/source/wham/src-M/readpdb.f
b/source/wham/src-M/readpdb.f
index
3e7ecb3
..
8762ebb
100644
(file)
--- a/
source/wham/src-M/readpdb.f
+++ b/
source/wham/src-M/readpdb.f
@@
-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)