|
VFVS_GK running without results
|
|
2
|
646
|
October 8, 2021
|
|
Running VFVS/Vina on AWS Graviton (ARM processors)
|
|
1
|
595
|
September 30, 2021
|
|
Obtaining lowest binding affinity and extracting the residue
|
|
3
|
610
|
August 26, 2021
|
|
./vf_report.sh -c workflow ligand collections processing or not started
|
|
2
|
600
|
August 5, 2021
|
|
Easy way to add a ligand to your ligand-library?
|
|
1
|
549
|
July 26, 2021
|
|
Implementing my own receptor using preconfigured example
|
|
1
|
594
|
July 25, 2021
|
|
Complete and incomplete pp_ranking vs_report
|
|
0
|
596
|
July 15, 2021
|
|
I need optimized slurm template
|
|
1
|
553
|
June 6, 2021
|
|
Optimal parameters for workflow
|
|
1
|
620
|
June 6, 2021
|
|
Setting and Running VFVS on AWS
|
|
1
|
730
|
April 23, 2020
|
|
What are the optimal parameters for the all.ctrl file in the O2(Orchestra2) cluster?
|
|
4
|
700
|
March 23, 2021
|
|
VFVS for randomly selected ligands?
|
|
7
|
998
|
February 13, 2021
|
|
Stopping the submitted jobs
|
|
3
|
602
|
February 11, 2021
|
|
The pre-configured todo list run but if replaced with new ligands it fails
|
|
7
|
874
|
January 12, 2021
|
|
Optimal high performance computing facility setup
|
|
6
|
813
|
January 12, 2021
|
|
Real Library Usage
|
|
4
|
990
|
January 6, 2021
|
|
Is it normal for flexible docking to take up a lot of inodes in /tmp?
|
|
3
|
735
|
December 16, 2020
|
|
Getting started: Google Cloud v. local cluster
|
|
8
|
1210
|
December 2, 2020
|
|
VFVS Tutorial-1 failing after 1 min
|
|
2
|
727
|
November 16, 2020
|
|
Job is not failed, but the .err file of queue which is in the workflow output file had error message
|
|
2
|
522
|
August 30, 2020
|
|
Some errors occurred when operating the flexible docking
|
|
4
|
638
|
August 22, 2020
|
|
How to use VFVS for flexiable docking and how to set the parameter of input-files
|
|
6
|
718
|
August 4, 2020
|
|
Problems with joblines
|
|
2
|
839
|
June 30, 2020
|
|
Failed immediately after submitting the Job
|
|
8
|
1038
|
June 8, 2020
|
|
Evolution of the docking process
|
|
2
|
884
|
May 21, 2020
|
|
Scaling question
|
|
5
|
717
|
May 20, 2020
|
|
Workflow not stopping after all ligands docked
|
|
2
|
747
|
May 10, 2020
|
|
"Memory required by task is not available" issue encountered while using the virtual flow on Slurm system
|
|
8
|
810
|
May 10, 2020
|
|
VFVS joblines submitted but not processing
|
|
9
|
1337
|
May 3, 2020
|
|
Parallelization type of virtualflow
|
|
2
|
671
|
April 25, 2020
|