Currently, a user must manually create an input dictionary, then parse that to a 'plumed.dat' file using the generate_input function. This is fine for simple systems. It is impractical to write these dictionaries by hand for PBMetaD systems, especially with the introduction of PBMetaD-PF, which can require hundreds of CV definitions. We need a command line tool to automate this process with limited user input.... Eventually, I hope to create a GUI to replace the command line tool, but the CLI should help the members of PRG in the mean time.
Currently, a user must manually create an input dictionary, then parse that to a 'plumed.dat' file using the
generate_inputfunction. This is fine for simple systems. It is impractical to write these dictionaries by hand for PBMetaD systems, especially with the introduction of PBMetaD-PF, which can require hundreds of CV definitions. We need a command line tool to automate this process with limited user input.... Eventually, I hope to create a GUI to replace the command line tool, but the CLI should help the members of PRG in the mean time.