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checkgrad added to ctest
[unres.git] / ctest / prota_unres_energy_check.sh
2017-02-27 Cezary Czaplewskicheckgrad added to ctest blob | commitdiff
2016-04-27 Cezary Czaplewskictest for empty stat files blob | commitdiff | diff to current
2016-04-27 Cezary Czaplewskictest relax test criteria blob | commitdiff | diff to current
2016-03-24 Cezary Czaplewskictest the first static disulfide test ene/min cart blob | commitdiff | diff to current
2016-03-23 Cezary Czaplewskictest microcanoninal energy fluctuations limits adjusted blob | commitdiff | diff to current
2016-03-22 Cezary Czaplewskictest multichain protein-peptide complex blob | commitdiff | diff to current
2016-03-15 Cezary Czaplewskictest update of ref energy with correct sccor values blob | commitdiff | diff to current
2016-03-14 Cezary Czaplewskictest wsccor 0.25 wtor 1.34316 in all tests blob | commitdiff | diff to current
2016-03-12 Cezary Czaplewskictest ENE changed to minimize unres_pdb structure blob | commitdiff | diff to current
2016-03-09 Cezary Czaplewskictest corrections to mpi script and remd test blob | commitdiff | diff to current
2016-03-09 Cezary Czaplewskictest for remd blob | commitdiff | diff to current
2016-03-08 Cezary Czaplewskictest for thermostats: Langevin, Nose-Hoover and Berendsen blob | commitdiff | diff to current
2016-03-02 Cezary Czaplewskictest for CSA global with 4P force field blob | commitdiff | diff to current
2016-03-02 Cezary Czaplewskictest for internal coordinates and regular minimization blob | commitdiff | diff to current
2016-02-29 Cezary Czaplewskictest for minimization and microcanonical MD blob | commitdiff | diff to current
2016-02-29 Cezary Czaplewskictest for E0LL2Y with reference energy diff blob | commitdiff | diff to current
UNRESPACK 3.x