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ctest src_MD-M corrections
[unres.git]
/
source
/
wham
/
src-M
/
enecalc1.F
diff --git
a/source/wham/src-M/enecalc1.F
b/source/wham/src-M/enecalc1.F
index
a2347d3
..
4fb7c9d
100644
(file)
--- a/
source/wham/src-M/enecalc1.F
+++ b/
source/wham/src-M/enecalc1.F
@@
-174,7
+174,7
@@
c & " waga_homology",waga_homology(iset)
write (iout,*) "temp", temp
call pdbout(i,temp,energia(0),energia(0),0.0d0,0.0d0)
#endif
write (iout,*) "temp", temp
call pdbout(i,temp,energia(0),energia(0),0.0d0,0.0d0)
#endif
- if (energia(0).ge.1.0d20) then
+ if (energia(0).ge.1.0d6) then
write (iout,*) "NaNs detected in some of the energy",
& " components for conformation",ii+1
write (iout,*) "The Cartesian geometry is:"
write (iout,*) "NaNs detected in some of the energy",
& " components for conformation",ii+1
write (iout,*) "The Cartesian geometry is:"