In the setup, line 17 is missing -xyz system.xyz. The example results in all molecules placed at the origin, missing the PACKMOL packing.
Path:
examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/README_setup.sh
Original:
moltemplate.sh system.lt
Fix:
moltemplate.sh -xyz system.xyz system.lt
In the setup, line 17 is missing -xyz system.xyz. The example results in all molecules placed at the origin, missing the PACKMOL packing.
Path:
examples/all_atom/force_field_OPLSAA/ethylene+benzene_PACKMOL/README_setup.sh
Original:
moltemplate.sh system.lt
Fix:
moltemplate.sh -xyz system.xyz system.lt