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Molecular Simulation Volume 13, 1994 - Issue 6
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Original Articles

The Virial of Angle Dependent Potentials in Molecular Dynamics Simulations

H. Bekker Department of Mathematics and Computing Science, University of Groningen, P.O.B. 800, NL-9700 AV, Groningen, Netherlands E-mail: [email protected]
&
P. Ahlström Laboratory of Biophysical Chemistry, University of Groningen, Nijenborgh 4, 9747 AG, Groningen, Netherlands; Department of Applied Physics, Chalmers University of Technology and University of Göteborg, S-4196 Göteborg, Sweden E-mail: [email protected]
Pages 367-374 | Received 01 Apr 1993, Accepted 01 Jun 1994, Published online: 23 Sep 2006

Citations (6)

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David Brown. (1995) On the Calculation of the Contribution to the Pressure of Angle-Dependent Potentials. Molecular Simulation 15:5, pages 323-326.
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Articles from other publishers (5)

Wilfred F. van Gunsteren, Maria Pechlaner, Lorna J. Smith, Bartosz Stankiewicz & Niels Hansen. (2022) A Method to Derive Structural Information on Molecules from Residual Dipolar Coupling NMR Data. The Journal of Physical Chemistry B 126:21, pages 3867-3888.
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Joseph D. Dietz & Robert S. Hoy. (2020) Two-stage athermal solidification of semiflexible polymers and fibers. Soft Matter 16:26, pages 6206-6217.
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Markus Christen, Philippe H. Hünenberger, Dirk Bakowies, Riccardo Baron, Roland Bürgi, Daan P. Geerke, Tim N. Heinz, Mika A. Kastenholz, Vincent Kräutler, Chris Oostenbrink, Christine Peter, Daniel Trzesniak & Wilfred F. van Gunsteren. (2005) The GROMOS software for biomolecular simulation: GROMOS05. Journal of Computational Chemistry 26:16, pages 1719-1751.
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John E. Carpenter. (2002) Computation of pressure components due to Class II force fields. Journal of Computational Chemistry 23:6, pages 667-672.
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Philippe H. Hünenberger. (2002) Calculation of the group-based pressure in molecular simulations. I. A general formulation including Ewald and particle-particle–particle-mesh electrostatics. The Journal of Chemical Physics 116:16, pages 6880-6897.
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