user_pdbcollections¶
This attribute allows you to specify user-defined collections of PDB files that can be used for custom lipids or ligands in your simulations.
Here you can list one or more paths to PDB collections that you have built using the make-pdbcollection subcommand.
These collections can be used to provide custom lipids or ligands for your simulations.
The paths should point to directories that contain subdirectories for each RESI in the collection,
each of which contains PDB files for that RESI.
Example:¶
charmmff:
pdbcollections:
- /path/to/my/custom/lipid/collection/
- /path/to/my/custom/ligand/collection/