People who were not candidates for the applicable prevention activity at the start of the simulation were followed annually (screened) to see if they developed the condition in the interval following the previous examination, and if so, they were treated accordingly.
A classical molecular dynamics simulation was followed by defect analysis using the Pixel Mapping (PM) method.
In Phases I and II, 2 ns of SMD simulation was followed by 4 ns of equilibration, while in Phase III 2 ns of SMD simulation was followed by 15 ns of equilibration.
In Phase I, 2 ns of SMD simulation was followed by 4 ns of equilibration, while in Phase II 2 ns of SMD simulation was followed by 10 ns of equilibration.
After solvating, the same procedure (as stated for the 4KTQ-I707L simulation) was followed for performing minimization, heating, equilibration, and a total of 2.2 μs of unrestrained MD at 298 K using the GPU-accelerated pmemd code of Amber 12.
These simple 1-D simulations were followed by a multispecies 2-D MHD model (Cravens et al., 1998) and a single fluid MHD model (Ledvina and Cravens, 1998).
The MC simulations were followed by molecular dynamics (MD) simulations.[15] These latter results were analyzed for average properties, such as interlayer water self-diffusion coefficients, as well as for individual molecular properties, such as plots of xyz coordinates sampled by specific Cs+ ions or by water molecules.
Subsequently, a standard MD simulation-based protocol is followed based on certain optimized parameters, which performs extensive MD simulations for 25 ns.
In Section 4, the numerical simulations are presented, which is followed by the conclusion in Section 5.
