|
About the VFVS category
|
|
0
|
129
|
March 7, 2020
|
|
Is it possible to obtain the interacting residues?
|
|
0
|
13
|
June 9, 2022
|
|
About the config.txt for docking programs
|
|
1
|
33
|
May 20, 2022
|
|
The failed ligands in VFVS between different clusters
|
|
0
|
23
|
May 9, 2022
|
|
Vfvs_pp_ranking_all.sh file missing
|
|
2
|
30
|
April 9, 2022
|
|
Ligands skipped seemingly at random
|
|
6
|
74
|
February 28, 2022
|
|
Vf_continue.all.sh failing
|
|
5
|
73
|
February 18, 2022
|
|
Ln: failed to create symbolic link '../../workflow/ligand-collections/todo/todo.all.locked': File exists
|
|
0
|
46
|
February 8, 2022
|
|
Jobs not running in parallel?
|
|
9
|
231
|
January 17, 2022
|
|
Error on line 68
|
|
8
|
170
|
January 4, 2022
|
|
VFVS_GK Tutorial2 failing with the suggested settings
|
|
1
|
104
|
October 14, 2021
|
|
VFVS_GK running without results
|
|
2
|
160
|
October 8, 2021
|
|
Running VFVS/Vina on AWS Graviton (ARM processors)
|
|
1
|
66
|
September 30, 2021
|
|
Obtaining lowest binding affinity and extracting the residue
|
|
3
|
95
|
August 26, 2021
|
|
./vf_report.sh -c workflow ligand collections processing or not started
|
|
2
|
97
|
August 5, 2021
|
|
Easy way to add a ligand to your ligand-library?
|
|
1
|
84
|
July 26, 2021
|
|
Implementing my own receptor using preconfigured example
|
|
1
|
82
|
July 25, 2021
|
|
Complete and incomplete pp_ranking vs_report
|
|
0
|
66
|
July 15, 2021
|
|
I need optimized slurm template
|
|
1
|
97
|
June 6, 2021
|
|
Optimal parameters for workflow
|
|
1
|
118
|
June 6, 2021
|
|
Setting and Running VFVS on AWS
|
|
1
|
201
|
April 23, 2020
|
|
What are the optimal parameters for the all.ctrl file in the O2(Orchestra2) cluster?
|
|
4
|
171
|
March 23, 2021
|
|
VFVS for randomly selected ligands?
|
|
7
|
173
|
February 13, 2021
|
|
Stopping the submitted jobs
|
|
3
|
127
|
February 11, 2021
|
|
The pre-configured todo list run but if replaced with new ligands it fails
|
|
7
|
167
|
January 12, 2021
|
|
Optimal high performance computing facility setup
|
|
6
|
198
|
January 12, 2021
|
|
Batch job submitted but immediately failed
|
|
40
|
512
|
January 7, 2021
|
|
Real Library Usage
|
|
4
|
296
|
January 6, 2021
|
|
Is it normal for flexible docking to take up a lot of inodes in /tmp?
|
|
3
|
140
|
December 16, 2020
|
|
Getting started: Google Cloud v. local cluster
|
|
8
|
406
|
December 2, 2020
|