CTEST_FULL_OUTPUT
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United-residue force field calculation - serial job.
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Inside initialize indpdb= 25 pdbref= T
Call Read_Bridge.
ns= 4
after etotal
Calling MINIM_DC
check_ecart before sumsl
check_ecart
SUMSL return code is 8 eval 1119
# eval/s 819.66727710987300
refstr= T
STOP ********** Program terminated normally.
initial energy=134.838 reference=134.8382
SUMSL return code 20
ERROR = SUMSL return code 20 is not 4
but not failing this test, it is known problem with dissulfides
OK: absdiff= 5.231200, ene= -146.090600
1.46s
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