Examples for AMBER

Blacklight examples

• 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