All tasks for computer 8110


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State: All (1017) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (1006) · Invalid (0) · Error (11)
Application: All (1017) · gromacs (0) · Gromacs_v2 (0) · smina_mol2 (1017) · smina_pdbqt (0) · smina_sdf (0) · vina (0)
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smina-mol2_SM002c_config-4n4v_zinc15-00003_BCAARN.xaa-ligand-0234.pdbqt_13574_51118.in_0 22194498 14 Dec 2017, 21:52:29 UTC 14 Dec 2017, 22:31:18 UTC Error while computing 109.02 109.02 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00003_BCAARN.xaa-ligand-0235.pdbqt_13575_51118.in_0 22194500 14 Dec 2017, 21:52:29 UTC 14 Dec 2017, 22:31:18 UTC Error while computing 59.51 59.51 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00003_BCAARN.xaa-ligand-0236.pdbqt_13576_51118.in_0 22194502 14 Dec 2017, 21:52:29 UTC 14 Dec 2017, 22:31:18 UTC Error while computing 79.34 79.34 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00003_BCAARN.xaa-ligand-0238.pdbqt_13578_51118.in_0 22194506 14 Dec 2017, 21:52:29 UTC 14 Dec 2017, 22:31:18 UTC Error while computing 59.45 59.45 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00003_BCAARN.xaa-ligand-0240.pdbqt_13580_51118.in_0 22194510 14 Dec 2017, 21:52:29 UTC 14 Dec 2017, 22:31:18 UTC Error while computing 105.28 105.28 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00003_BCAARN.xaa-ligand-0241.pdbqt_13581_51118.in_0 22194512 14 Dec 2017, 21:52:29 UTC 14 Dec 2017, 22:31:18 UTC Error while computing 89.15 89.15 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00003_BCAARN.xaa-ligand-0243.pdbqt_13583_51118.in_0 22194516 14 Dec 2017, 21:52:29 UTC 14 Dec 2017, 22:31:18 UTC Error while computing 69.38 69.38 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00003_BCAARN.xaa-ligand-0244.pdbqt_13584_51118.in_0 22194518 14 Dec 2017, 21:52:29 UTC 14 Dec 2017, 22:31:18 UTC Error while computing 79.27 79.27 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00004_BCABRO.xab-ligand-193.pdbqt_45647_55335.in_3 22360758 15 Dec 2017, 12:20:10 UTC 17 Dec 2017, 0:29:28 UTC Error while computing 20.53 0.00 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00005_CCAARN.xac-ligand-8738.pdbqt_49528_50787.in_0 22479116 15 Dec 2017, 12:02:23 UTC 17 Dec 2017, 0:24:59 UTC Completed and validated 192.66 187.08 1.42 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00005_CCAARN.xac-ligand-8741.pdbqt_49531_50787.in_0 22479122 15 Dec 2017, 12:02:23 UTC 17 Dec 2017, 0:25:18 UTC Completed and validated 204.40 199.09 1.51 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00005_CCAARN.xac-ligand-8743.pdbqt_49533_50787.in_0 22479126 15 Dec 2017, 12:02:23 UTC 17 Dec 2017, 0:29:28 UTC Completed and validated 221.76 216.00 1.59 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00005_CCAARN.xac-ligand-8744.pdbqt_49534_50787.in_0 22479128 15 Dec 2017, 12:02:23 UTC 17 Dec 2017, 0:25:18 UTC Completed and validated 197.43 192.82 1.46 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00005_CCAARN.xac-ligand-8745.pdbqt_49535_50787.in_0 22479130 15 Dec 2017, 12:02:23 UTC 17 Dec 2017, 0:29:28 UTC Completed and validated 347.75 341.78 2.48 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00005_CCAARN.xac-ligand-8746.pdbqt_49536_50787.in_0 22479132 15 Dec 2017, 12:02:23 UTC 17 Dec 2017, 0:29:28 UTC Completed and validated 222.93 213.99 1.58 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00005_CCAARN.xac-ligand-8749.pdbqt_49539_50787.in_0 22479138 15 Dec 2017, 12:02:23 UTC 17 Dec 2017, 0:29:28 UTC Completed and validated 336.15 332.16 2.38 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00005_CCAARN.xac-ligand-8750.pdbqt_49540_50787.in_0 22479140 15 Dec 2017, 12:02:23 UTC 17 Dec 2017, 0:29:28 UTC Completed and validated 219.33 212.03 1.54 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00005_CCAARN.xac-ligand-8752.pdbqt_49542_50787.in_0 22479144 15 Dec 2017, 12:02:23 UTC 17 Dec 2017, 0:25:18 UTC Completed and validated 198.53 192.04 1.47 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00005_CCAARN.xac-ligand-9178.pdbqt_49968_50787.in_0 22479996 15 Dec 2017, 12:04:48 UTC 17 Dec 2017, 0:24:45 UTC Completed and validated 156.42 150.27 1.11 smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00005_CCAARN.xac-ligand-9179.pdbqt_49969_50787.in_0 22479998 15 Dec 2017, 12:04:48 UTC 17 Dec 2017, 0:24:45 UTC Error while computing 63.00 43.32 --- smina_mol2 v0.09
x86_64-pc-linux-gnu
smina-mol2_SM002c_config-4n4v_zinc15-00005_CCAARN.xac-ligand-9180.pdbqt_49970_50787.in_0 22480000 15 Dec 2017, 12:04:48 UTC 17 Dec 2017, 0:24:45 UTC Completed and validated 177.47 169.55 1.26 smina_mol2 v0.09
x86_64-pc-linux-gnu

Next 20
State: All (1017) · In progress (0) · Validation pending (0) · Validation inconclusive (0) · Valid (1006) · Invalid (0) · Error (11)
Application: All (1017) · gromacs (0) · Gromacs_v2 (0) · smina_mol2 (1017) · smina_pdbqt (0) · smina_sdf (0) · vina (0)
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