This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• database_zeopp.aiida: AiiDA 0.12.1 database containing the calculations used for sampling.
• aiida_scripts.zip: AiiDA 0.12.1 workchains and runscripts.
• README.txt: Description of the file contents.
• database_tc_test.aiida: AiiDA 0.12.1 database containing the calculations used for investigating the effect of tail-corrections for simulations without pore blocking .
• database_blocked_pockets.aiida: AiiDA 0.12.1 database containing the calculations used for investigating the effect of tail-corrections for simulations with pore blocking .