Running CPPTRAJ

CPPTRAJ can be run in either “interactive mode” or in “batch mode”.

If in interactive mode, ‘help ‘ can be used to get the associated keywords as well as an abbreviated description of the command. Most commands have a corresponding test which also serves as an example of how to use the command. See $AMBERHOME/AmberTools/test/cpptraj/README for more details.

Command Line Syntax	Parallelization
Commands	MPI Trajectory Parallelization
Batch mode	OpenMP Parallelization
Interactive mode	CUDA Parallelization
Trajectory Processing “Run”