Executing CHARMM

CHARMM can be called with the command line as:

charmm_executable < charmm_input_script.inp > charmm_output_file.out

it should also be noted here that CHARMM can accept command line arguments and set them to CHARMM variables that can be used in input scripts. For example:

charmm_executable nsteps=100 < charmm_input_script.inp > charmm_output_file.out