AMBER Examples
For Blacklight
Download blacklight example files here
Files include:
- amber.job, PBS script
- mdin, input file
- inpcrd, input coordinates
- prmtop, input file for molecular topology, force field, periodic box type and atom and residue names
- logfile, output data
- mdout, user readable state info and diagnostics (output)
- mdinfo, latest md-format energy info (output)
- restrt, final coordinates, velocity and box dimensions for a restart run
- amber.out, standard output and error
For Salk
Download salk example files here
Files include:
- amber10.job, PBS script
- mdin, input file
- inpcrd, input coordinates
- prmtop, input file for molecular topology, force field, periodic box type and atom and residue names
- logfile, output data
- mdout, user readable state info and diagnostics (output)
- mdinfo, latest md-format energy info (output)
- restrt, final coordinates, velocity and box dimensions for a restart run
- amber10.out, standard output and error
