Skip to content

Antechamber cannot be run in parallel in the same folder. #46

@diegoenry

Description

@diegoenry

I just realized that antechamber can not be executed at the concurrently at the same folder.

For each ligand it generates a number of temporary files with the same name

Quick solution could be running from a temporary folder, example here:
dbarreto@hpc-login1:~/ChemFlow_paper/Benchmark_meso$ vim LigFlow_names.bash

cd $(mktemp -d ) ; antechamber -i ${RUNDIR}/${LIGAND}.mol2 ...

Metadata

Metadata

Labels

Type

No type

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions