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ctest csa for E0LL2Y
[unres.git] / ctest /
2016-04-22 Cezary Czaplewskictest csa for E0LL2Y tree | commitdiff
2016-03-24 Cezary Czaplewskictest the first static disulfide test ene/min cart tree | commitdiff
2016-03-24 Cezary Czaplewskictest wham and cluster_wham correction tree | commitdiff
2016-03-23 Cezary Czaplewskiwham thermal format $ correction for gfortran tree | commitdiff
2016-03-23 Cezary Czaplewskictest microcanoninal energy fluctuations limits adjusted tree | commitdiff
2016-03-22 Cezary Czaplewskictest wham checks energy differs tree | commitdiff
2016-03-22 Cezary Czaplewskictest multichain protein-peptide complex tree | commitdiff
2016-03-15 Cezary Czaplewskictest update of ref energy with correct sccor values tree | commitdiff
2016-03-14 Cezary Czaplewskictest wsccor 0.25 wtor 1.34316 in all tests tree | commitdiff
2016-03-12 Cezary Czaplewskictest ENE changed to minimize unres_pdb structure tree | commitdiff
2016-03-11 Cezary Czaplewskictest cluster int for csa output tree | commitdiff
2016-03-10 Cezary Czaplewskictest correction to previous commit tree | commitdiff
2016-03-10 Cezary Czaplewskicorrections to cluster_wham tree | commitdiff
2016-03-10 Cezary Czaplewskictest wham tree | commitdiff
2016-03-09 Cezary Czaplewskictest corrections to mpi script and remd test tree | commitdiff
2016-03-09 Cezary Czaplewskictest for remd tree | commitdiff
2016-03-08 Cezary Czaplewskictest local csa added with 4P force field tree | commitdiff
2016-03-08 Cezary Czaplewskictest correction to previous commit tree | commitdiff
2016-03-08 Cezary Czaplewskictest for thermostats: Langevin, Nose-Hoover and Berendsen tree | commitdiff
2016-03-04 Cezary Czaplewskictest tolerance for csa emin inreased to 5.0 tree | commitdiff
2016-03-02 Cezary Czaplewskictest for CSA global with 4P force field tree | commitdiff
2016-03-02 Cezary Czaplewskictest for internal coordinates and regular minimization tree | commitdiff
2016-02-29 Cezary Czaplewskictest for minimization and microcanonical MD tree | commitdiff
2016-02-29 Cezary Czaplewskictest for E0LL2Y with reference energy diff tree | commitdiff
2012-06-27 Dawid Jagiela1) added ctests for xdrf2pdb-m 2) cleanup tree | commitdiff
2012-06-08 Dawid Jagielaadded ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing tree | commitdiff
2012-06-05 Dawid Jagielaadded ctests for xdrf2pdb (one & three letter sequence ) tree | commitdiff
UNRESPACK 3.x