We have used molecular dynamics simulations to study the physical properties of modified TIP3P water model included in the CHARMM program, using four different methods-the Ewald summation technique, and three different spherical truncation methods-for the treatment of the long-range interactions. Bo
β¦ LIBER β¦
Effects of long-range interactions in zeolite-like systems: interaction energies and self-diffusion coefficient of water in ferrierite from molecular dynamics simulation
β Scribed by L. Leherte; J.-M. Andre; D.P. Vercauteren; E.G. Derouane
- Publisher
- Elsevier Science
- Year
- 1989
- Weight
- 896 KB
- Volume
- 54
- Category
- Article
- ISSN
- 0304-5102
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## Abstract The present study analyzes the effect of the simulation conditions on the results of molecular dynamics simulations of Gβprotein coupled receptors (GPCRs) performed with an explicit lipid bilayer. Accordingly, the present work reports the analysis of different simulations of bovine rhod