The Gibbs program computes the thermodynamic properties of two coexisting phases using the Gibbs ensemble Monte Carlo technique. The program is capable of simulating molecular models composed of Lennard-Jones or Buckingham exponential-6 sites to describe the non-polar forces and point charges to represent the polar forces. Configurational-bias techniques are used to insert molecules. The program outputs the values of the coexisting densities, energies and saturation pressure. Unlike the gcmc program, early rejection, expanded ensemble, reservoir and Hamiltonian scaling techniques are not included in this program.
Information is provided on how to obtain and compile the source code in addition to documentation about the input file. The best way to understand the program is to browse through the examples.
If you have questions about the capabilities or limitations of the program please contact either Jeff Errington or Thanos Panagiotopoulos.