|
About the VFVS category
|
|
0
|
97
|
March 7, 2020
|
|
Jobs not running in parallel?
|
|
9
|
158
|
January 17, 2022
|
|
Error on line 68
|
|
8
|
76
|
January 4, 2022
|
|
VFVS_GK Tutorial2 failing with the suggested settings
|
|
1
|
51
|
October 14, 2021
|
|
VFVS_GK running without results
|
|
2
|
104
|
October 8, 2021
|
|
Running VFVS/Vina on AWS Graviton (ARM processors)
|
|
1
|
34
|
September 30, 2021
|
|
Obtaining lowest binding affinity and extracting the residue
|
|
3
|
50
|
August 26, 2021
|
|
./vf_report.sh -c workflow ligand collections processing or not started
|
|
2
|
61
|
August 5, 2021
|
|
Easy way to add a ligand to your ligand-library?
|
|
1
|
51
|
July 26, 2021
|
|
Implementing my own receptor using preconfigured example
|
|
1
|
46
|
July 25, 2021
|
|
Complete and incomplete pp_ranking vs_report
|
|
0
|
28
|
July 15, 2021
|
|
I need optimized slurm template
|
|
1
|
60
|
June 6, 2021
|
|
Optimal parameters for workflow
|
|
1
|
76
|
June 6, 2021
|
|
Setting and Running VFVS on AWS
|
|
1
|
167
|
April 23, 2020
|
|
What are the optimal parameters for the all.ctrl file in the O2(Orchestra2) cluster?
|
|
4
|
121
|
March 23, 2021
|
|
VFVS for randomly selected ligands?
|
|
7
|
131
|
February 13, 2021
|
|
Stopping the submitted jobs
|
|
3
|
96
|
February 11, 2021
|
|
The pre-configured todo list run but if replaced with new ligands it fails
|
|
7
|
127
|
January 12, 2021
|
|
Optimal high performance computing facility setup
|
|
6
|
168
|
January 12, 2021
|
|
Batch job submitted but immediately failed
|
|
40
|
413
|
January 7, 2021
|
|
Real Library Usage
|
|
4
|
259
|
January 6, 2021
|
|
Is it normal for flexible docking to take up a lot of inodes in /tmp?
|
|
3
|
111
|
December 16, 2020
|
|
Getting started: Google Cloud v. local cluster
|
|
8
|
325
|
December 2, 2020
|
|
VFVS Tutorial-1 failing after 1 min
|
|
2
|
104
|
November 16, 2020
|
|
Why there were just part of my ligands been docked？
|
|
2
|
77
|
October 2, 2020
|
|
Job is not failed, but the .err file of queue which is in the workflow output file had error message
|
|
2
|
93
|
August 30, 2020
|
|
Some errors occurred when operating the flexible docking
|
|
4
|
157
|
August 22, 2020
|
|
How to use VFVS for flexiable docking and how to set the parameter of input-files
|
|
6
|
118
|
August 4, 2020
|
|
Problems with joblines
|
|
2
|
190
|
June 30, 2020
|
|
Issue when trying to run the VFVS_GK tutorial (tutorial 1)
|
|
9
|
369
|
June 12, 2020
|
