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Accelerated Molecular Dynamics
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NAMD 3.0 User's Guide
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Hybrid single-dual topology approach
Contents
Index
Accelerated Sampling Methods
Subsections
Accelerated Molecular Dynamics
Theoretical background
NAMD parameters
Gaussian Accelerated Molecular Dynamics
Theoretical background
NAMD parameters
Solute Scaling and REST2
NAMD parameters
Adaptive Tempering
NAMD parameters
Locally enhanced sampling
Structure generation
Simulation
Replica exchange simulations
Random acceleration molecular dynamics simulations
http://www.ks.uiuc.edu/Research/namd/
