I hope this message finds you well. I am reaching out to seek your help with an issue I encountered while running a script in my project. Despite multiple attempts, I keep encountering errors, such as being unable to direct the program to the specified folders. I’m uncertain if these issues stem from a problem within the script itself or if I am overlooking something in the setup process.
Here is the code I used:
cd /XYFS01/sysu_htian_1/Virtual-flow/VFVS_GK
mkdir -p pp/ranking
vfvs_pp_ranking_all.sh …/…/output-files/complete/ 2 meta_tranche
mkdir -p docking_poses/qvina02_rigid_receptor1
cd docking_poses/qvina02_rigid_receptor1
head -n 100 …/…/ranking/qvina02_rigid_receptor1/firstposes.all.minindex.sorted.clean > compounds
vfvs_pp_prepare_dockingposes.sh …/…/…/output-files/complete/qvina02_rigid_receptor1/results/ meta_tranch compounds dockingsposes overwrite docking_poses
Additionally, the script indicates that it requires replica-6.6, but I only have replica-1 in each folder.The results I obtained are different from those shown in the tutorial, and I am unsure of the cause.