CTEST_FULL_OUTPUT
STOP Bye Bye...
STOP Bye Bye...
1
1
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
after etotal
after hairpin
after secondary
Calling MINIM_DC
indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
after etotal
after hairpin
after secondary
Calling MINIM_DC
SUMSL return code is 8 eval 205
# eval/s 486.48403738283918
refstr= T
after hairpin
after secondary
SUMSL return code is 8 eval 1257
# eval/s 728.52199927068204
refstr= T
after hairpin
after secondary
CG processor 1 is finishing work.
CG processor 0 is finishing work.
initial energy=127.042 reference=127.044
SUMSL return code 20
ERROR = SUMSL return code 20 is not 4
but not failing this test, it is known problem with dissulfides
WARNING: energy is somewhat different 10.384300, ene= -138.201900