CTEST_FULL_OUTPUT
STOP Bye Bye...
STOP Bye Bye...
1
1
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
indpdb= 25 pdbref= T
after etotal
after hairpin
after secondary
Calling MINIM_DC
Call Read_Bridge.
ns= 4
after etotal
after hairpin
after secondary
Calling MINIM_DC
SUMSL return code is 8 eval 363
# eval/s 920.01693882878442
refstr= T
after hairpin
after secondary
SUMSL return code is 8 eval 654
# eval/s 953.18201075262834
refstr= T
after hairpin
after secondary
CG processor 0 is finishing work.
CG processor 1 is finishing work.
initial energy=253.914 reference=253.914
SUMSL return code 8
ERROR = SUMSL return code 8 is not 4
but not failing this test, it is known problem with dissulfides
OK: absdiff= 5.643010, ene= 41.418890