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changes in parameters set due to large accelatetions...
[unres4.git]
/
source
/
unres
/
MD.F90
diff --git
a/source/unres/MD.F90
b/source/unres/MD.F90
index
23e7bfa
..
0acdaf7
100644
(file)
--- a/
source/unres/MD.F90
+++ b/
source/unres/MD.F90
@@
-1203,7
+1203,7
@@
call zerograd
call etotal(potEcomp)
! AL 4/17/17: Reduce the steps if NaNs occurred.
- if (potEcomp(0).gt.0.99e20 .or. isnan(potEcomp(0)).gt.0) then
+ if (potEcomp(0).gt.0.99e18 .or. isnan(potEcomp(0)).gt.0) then
d_time=d_time/2
cycle
endif