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Manuscript Title: Molecular dynamics implementation of BN2D or 'Mercedes Benz' water model
Authors: Arturs Scukins, Vitaliy Bardik, Evgen Pavlov, Dmitry Nerukh
Program title: BN2DMD
Catalogue identifier: AEVJ_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 190(2015)129
Programming language: C/C++.
Computer: Workstation.
Operating system: Linux, Unix.
Keywords: BN2D, NVE ensemble, NPT ensemble.
Classification: 16.9.

Nature of problem:
Molecular dynamics simulation of BN2D or 'Mercedes Benz' water model.

Solution method:
A BN2D water model [2], microcanonical (NVE) and isothermal-isobaric (NPT) ensembles with velocity-Verlet and Predictor-Corrector integration [1] respectively. Rotational degree of freedom is treated differently in NVE and NPT ensembles due to the nature of the model.

Memory and CPU time limits the size of simulations.

Additional comments:
This is an Open Access program

Running time:
Depends on the size of system.

[1] A. B. Naim, "Statistical mechanics of 'waterlike' particles in two dimensions. i. physical model and application of the percus-yevick equation," J. Chem. Phys, vol. 54, p. 3682, 1971.
[2] K. A. T. Silverstein, A. D. J. Haymet, and K. A. Dill, "A simple model of water and the hydrophobic effect," J. Am. Chem. Soc, vol. 120, pp. 3166-3175, 1998.