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Merge branch 'master' of mmka.chem.univ.gda.pl:/unres
[unres.git]
/
ctest
/ prota_unres_energy_check.sh
2017-02-27
Cezary Czaplewski
ctest - more checkgrad tests added
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2017-02-27
Cezary Czaplewski
checkgrad added to ctest
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2016-04-27
Cezary Czaplewski
ctest for empty stat files
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2016-04-27
Cezary Czaplewski
ctest relax test criteria
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2016-03-24
Cezary Czaplewski
ctest the first static disulfide test ene/min cart
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2016-03-23
Cezary Czaplewski
ctest microcanoninal energy fluctuations limits adjusted
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2016-03-22
Cezary Czaplewski
ctest multichain protein-peptide complex
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2016-03-15
Cezary Czaplewski
ctest update of ref energy with correct sccor values
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2016-03-14
Cezary Czaplewski
ctest wsccor 0.25 wtor 1.34316 in all tests
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2016-03-12
Cezary Czaplewski
ctest ENE changed to minimize unres_pdb structure
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2016-03-09
Cezary Czaplewski
ctest corrections to mpi script and remd test
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2016-03-09
Cezary Czaplewski
ctest for remd
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2016-03-08
Cezary Czaplewski
ctest for thermostats: Langevin, Nose-Hoover and Berendsen
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2016-03-02
Cezary Czaplewski
ctest for CSA global with 4P force field
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2016-03-02
Cezary Czaplewski
ctest for internal coordinates and regular minimization
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2016-02-29
Cezary Czaplewski
ctest for minimization and microcanonical MD
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2016-02-29
Cezary Czaplewski
ctest for E0LL2Y with reference energy diff
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