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no stop after Bad Cartesians in wham
[unres.git]
/
source
/
unres
/
src_MD
/
unres.F
diff --git
a/source/unres/src_MD/unres.F
b/source/unres/src_MD/unres.F
index
6d9de55
..
e50438e
100644
(file)
--- a/
source/unres/src_MD/unres.F
+++ b/
source/unres/src_MD/unres.F
@@
-287,6
+287,7
@@
crc overlap test
#endif
if (outpdb) call pdbout(etot,titel(:32),ipdb)
if (outmol2) call mol2out(etot,titel(:32))
+ if (minim .and. iretcode.ne.4) call check_ecartint
return
end
c---------------------------------------------------------------------------