rmfile

• This command is used after executing pacs mdrun.
• This command deletes backup files and other unnecessary files.
• This command reduces the number of files and the burden on the computer capacity.

Caution

• This command is not reversible.

Example

• The following example removes unnecessary files from the directory.

pacs rmfile -t 1 -s "gromacs"

Arguments

usage: pacs rmfile [-h] [-t] [-s]

• -t, --trial (int):
  • trial number without 0-fill when pacsmd was conducted (e.g. -t 1)
• -s, --simulator (str):
  • simulator name (e.g. -s "gromacs")
  • Only "gromacs", "amber", and "namd" are accepted.