Atomistic simulations of liquid water using Lekner electrostatics

• Published in: Molecular physics Vol. 100; no. 23; pp. 3753 - 3769
• Main Authors: ENGLISH, NIALL J., MACELROY, J. M.D.
• Format: Journal Article
• Language: English
• Published: Taylor & Francis Group 10.12.2002

Equilibrium molecular dynamics simulations have been performed for liquid water using three different potential models in the NVT and NPT ensembles. The flexible SPC model, the rigid TIP4P model and the rigid/polarizable TIP4P-FQ potential were studied. The Lekner method was used to handle long rang...