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Vfvs_pp_ranking_all.sh file missing
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2
|
395
|
April 9, 2022
|
|
Ligands skipped seemingly at random
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6
|
421
|
February 28, 2022
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Vf_continue.all.sh failing
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5
|
420
|
February 18, 2022
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Ln: failed to create symbolic link '../../workflow/ligand-collections/todo/todo.all.locked': File exists
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0
|
338
|
February 8, 2022
|
|
Error on line 68
|
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8
|
571
|
January 4, 2022
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VFVS_GK Tutorial2 failing with the suggested settings
|
|
1
|
378
|
October 14, 2021
|
|
VFVS_GK running without results
|
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2
|
407
|
October 8, 2021
|
|
Running VFVS/Vina on AWS Graviton (ARM processors)
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|
1
|
344
|
September 30, 2021
|
|
Obtaining lowest binding affinity and extracting the residue
|
|
3
|
365
|
August 26, 2021
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./vf_report.sh -c workflow ligand collections processing or not started
|
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2
|
373
|
August 5, 2021
|
|
Easy way to add a ligand to your ligand-library?
|
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1
|
309
|
July 26, 2021
|
|
Implementing my own receptor using preconfigured example
|
|
1
|
325
|
July 25, 2021
|
|
Complete and incomplete pp_ranking vs_report
|
|
0
|
310
|
July 15, 2021
|
|
I need optimized slurm template
|
|
1
|
328
|
June 6, 2021
|
|
Optimal parameters for workflow
|
|
1
|
359
|
June 6, 2021
|
|
Setting and Running VFVS on AWS
|
|
1
|
416
|
April 23, 2020
|
|
What are the optimal parameters for the all.ctrl file in the O2(Orchestra2) cluster?
|
|
4
|
405
|
March 23, 2021
|
|
VFVS for randomly selected ligands?
|
|
7
|
546
|
February 13, 2021
|
|
Stopping the submitted jobs
|
|
3
|
376
|
February 11, 2021
|
|
The pre-configured todo list run but if replaced with new ligands it fails
|
|
7
|
498
|
January 12, 2021
|
|
Optimal high performance computing facility setup
|
|
6
|
466
|
January 12, 2021
|
|
Real Library Usage
|
|
4
|
622
|
January 6, 2021
|
|
Is it normal for flexible docking to take up a lot of inodes in /tmp?
|
|
3
|
433
|
December 16, 2020
|
|
Getting started: Google Cloud v. local cluster
|
|
8
|
767
|
December 2, 2020
|
|
VFVS Tutorial-1 failing after 1 min
|
|
2
|
428
|
November 16, 2020
|
|
Job is not failed, but the .err file of queue which is in the workflow output file had error message
|
|
2
|
314
|
August 30, 2020
|
|
Some errors occurred when operating the flexible docking
|
|
4
|
420
|
August 22, 2020
|
|
How to use VFVS for flexiable docking and how to set the parameter of input-files
|
|
6
|
428
|
August 4, 2020
|
|
Problems with joblines
|
|
2
|
489
|
June 30, 2020
|
|
Failed immediately after submitting the Job
|
|
8
|
530
|
June 8, 2020
|