All tasks for computer 8105


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State: All (2842) · In progress (5) · Validation pending (0) · Validation inconclusive (0) · Valid (2828) · Invalid (0) · Error (9)
Application: All (2842) · gromacs (0) · Gromacs_v2 (0) · smina_mol2 (2842) · smina_pdbqt (0) · smina_sdf (0) · vina (0)
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smina-mol2_SM002c_config-4n4v_zinc15-00006_CCABRN.xaa-ligand-1961.pdbqt_37300_55309.in_0 22556199 15 Dec 2017, 15:51:42 UTC 16 Dec 2017, 17:13:48 UTC Error while computing 209.99 178.66 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00006_CCABRN.xaa-ligand-1965.pdbqt_37304_55309.in_0 22556207 15 Dec 2017, 15:51:42 UTC 16 Dec 2017, 17:13:48 UTC Error while computing 209.99 178.23 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00006_CCABRN.xaa-ligand-2830.pdbqt_38169_55309.in_0 22557937 15 Dec 2017, 15:56:38 UTC 16 Dec 2017, 17:13:48 UTC Error while computing 185.70 167.42 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00012_BDAARN.xaa-ligand-4901.pdbqt_04901_52586.in_4 23144101 18 Dec 2017, 9:35:18 UTC 18 Dec 2017, 9:37:31 UTC Error while computing 5.79 0.01 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00012_BDABRN.xaa-ligand-0350.pdbqt_33948_52586.in_0 23202138 16 Dec 2017, 23:53:19 UTC 17 Dec 2017, 3:37:54 UTC Error while computing 89.85 70.81 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00012_BDABRN.xaa-ligand-0357.pdbqt_33955_52586.in_0 23202152 16 Dec 2017, 23:53:19 UTC 17 Dec 2017, 3:37:54 UTC Error while computing 93.53 79.24 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00012_BDABRN.xaa-ligand-0474.pdbqt_34072_52586.in_0 23202386 16 Dec 2017, 23:54:01 UTC 17 Dec 2017, 3:37:54 UTC Error while computing 71.20 56.33 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00012_BDABRO.xaa-ligand-1875.pdbqt_48006_52586.in_1 23230234 18 Dec 2017, 1:42:04 UTC 18 Dec 2017, 2:13:59 UTC Completed and validated 220.69 218.72 1.40 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMM.xaa-ligand-0917.pdbqt_01551_59116.in_1 23242497 18 Dec 2017, 1:43:47 UTC 18 Dec 2017, 2:29:57 UTC Completed and validated 262.30 259.51 1.67 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMM.xaa-ligand-0919.pdbqt_01553_59116.in_1 23242501 18 Dec 2017, 1:43:48 UTC 18 Dec 2017, 2:31:19 UTC Completed and validated 195.68 194.19 1.27 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMN.xaa-ligand-00739.pdbqt_04440_59116.in_1 23248275 18 Dec 2017, 1:43:10 UTC 18 Dec 2017, 2:20:46 UTC Completed and validated 272.27 268.23 1.79 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMN.xaa-ligand-00740.pdbqt_04441_59116.in_1 23248277 18 Dec 2017, 1:43:10 UTC 18 Dec 2017, 2:20:46 UTC Completed and validated 243.73 241.58 1.60 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMN.xaa-ligand-00741.pdbqt_04442_59116.in_1 23248279 18 Dec 2017, 1:43:10 UTC 18 Dec 2017, 2:19:47 UTC Completed and validated 243.12 240.05 1.56 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMN.xaa-ligand-00742.pdbqt_04443_59116.in_1 23248281 18 Dec 2017, 1:43:10 UTC 18 Dec 2017, 2:20:46 UTC Completed and validated 256.83 253.94 1.68 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMN.xaa-ligand-07604.pdbqt_11305_59116.in_1 23261985 18 Dec 2017, 1:43:10 UTC 18 Dec 2017, 2:21:27 UTC Completed and validated 203.58 200.64 1.36 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMN.xab-ligand-0112.pdbqt_13813_59116.in_1 23267000 18 Dec 2017, 1:42:04 UTC 18 Dec 2017, 2:10:00 UTC Completed and validated 202.31 199.00 1.31 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMN.xab-ligand-0117.pdbqt_13818_59116.in_1 23267010 18 Dec 2017, 1:41:51 UTC 18 Dec 2017, 2:07:18 UTC Completed and validated 224.25 221.23 1.46 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMN.xab-ligand-2642.pdbqt_16343_59116.in_1 23272060 18 Dec 2017, 1:42:46 UTC 18 Dec 2017, 2:18:49 UTC Completed and validated 362.63 360.15 2.33 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMO.xaa-ligand-6722.pdbqt_23673_59116.in_1 23286700 18 Dec 2017, 1:41:51 UTC 18 Dec 2017, 2:08:48 UTC Completed and validated 206.62 204.23 1.34 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMO.xaa-ligand-6723.pdbqt_23674_59116.in_1 23286702 18 Dec 2017, 1:41:51 UTC 18 Dec 2017, 2:08:24 UTC Completed and validated 263.27 260.43 1.70 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00013_CDAAMO.xaa-ligand-6724.pdbqt_23675_59116.in_1 23286704 18 Dec 2017, 1:41:51 UTC 18 Dec 2017, 2:07:30 UTC Completed and validated 236.31 233.10 1.55 smina_mol2 v0.09
x86_64-pc-linux-gnu

Next 20
State: All (2842) · In progress (5) · Validation pending (0) · Validation inconclusive (0) · Valid (2828) · Invalid (0) · Error (9)
Application: All (2842) · gromacs (0) · Gromacs_v2 (0) · smina_mol2 (2842) · smina_pdbqt (0) · smina_sdf (0) · vina (0)
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