Control file

From Jacobson Lab Wiki

Jump to: navigation, search

Control Files contain a sequence of plop commands to be executed. It is either interpreted by the executable or accepted as input.

Example (allowing for either option):

   #!/home/jane/plop/plop
   datadirectory /home/jane/plop/data
   file logfile janes_plop_job.log
   energy parameters solvent vacuum
   # this comment will be ignored, as will the following command
   #load pdb /home/jane/old_pdb_files/protein.pdb
   load pdb /home/jane/pdb_files/protein.pdb
   minimize residues all residues verbose yes
   write pdb protein_minimized.pdb

[edit] See Also

Running Plop

Personal tools