Combined Monte Carlo and Molecular Dynamics Simulation of Fully Hydrated Dioleyl and Palmitoyl-oleyl Phosphatidylcholine Lipid Bilayers
β Scribed by Chiu, S.W.; Jakobsson, Eric; Subramaniam, Shankar; Scott, H.Larry
- Book ID
- 119412074
- Publisher
- Biophysical Society
- Year
- 1999
- Tongue
- English
- Weight
- 714 KB
- Volume
- 77
- Category
- Article
- ISSN
- 0006-3495
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
We describe a new equilibration procedure for the atomic level simulation of a hydrated lipid bilayer. The procedure consists of alternating molecular dynamics trajectory calculations in a constant surface tension and temperature ensemble with configurational bias Monte Carlo moves to different regi
Reverse Monte Carlo (RMC) calculations have been carried out on aqueous LiCl solutions at several concentrations, comparing experimental X-ray and neutron diffraction data with partial radial distribution functions (prdf) from Molecular Dynamics (MD) simulations based on conventional ion-ion, ion-wa