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Force Field and Topology of Argon

We use two force field of Argon for Gromacs 4.x and 5.x

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  1. RNP: For liquid Argon, it works.
  • L. A. Rowley, D. Nicholson and N. G. Parsonage "Monte Carlo grand canonical ensemble calculation in a gas-liquid transition region for 12-6 Argon", Journal of Computational Physics 17 pp. 401-414 (1975)
  1. White: For gas Argon, it works. But it is not good.for liquid phase. The last trial force field is applied into this file.
  • Original Paper: John A. White "Lennard-Jones as a model for argon and test of extended renormalization group calculations", Journal of Chemical Physics 111 pp. 9352-9356 (1999)
  • Reference Experimental Data: A. MICHELS, J. M. LEVELT and W. DE GRAAFF "COMPRESSIBILITY ISOTHERMS OF ARGON AT TEMPERATURES BETWEEN -- 25°C AND -- 155°C, AND AT DENSITIES UP TO 640 AMAGAT (PRESSURES UP TO 1050 ATMOSPHERES)", Physica XXIV, pp 659-671 (1958)

Reference of Topologies of Argon

See http://www.sklogwiki.org/SklogWiki/index.php/Argon

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