cmelab / planckton

Reproducible exploration of organic photovoltaic morphology self-assembly using molecular dynamics.
GNU General Public License v3.0
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Make it easier to provide input files with planckton-flow #49

Closed jennyfothergill closed 3 years ago

jennyfothergill commented 3 years ago

This may need changing in planckton-flow, but in order to provide an input compound when running through a container, the full path needs to be provided.