Running the Program

The program takes the following file names from standard input:

If a simulation is started from scratch, the initial configuration file is irrelevent, however a file name must still be given.

During execution of the program data is written to standard output after each cycle. The data is similar to that written to the cycle data file, but not exactly the same.

The program always needs the file lrcorr.dat. This file contains parameters to calculate the LJ/exp-6 long-range correction term. Make sure this file is in the directory when the program is executed.

The program is run from the command prompt by simply typing the name of the executable and entering the required file names.