P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation
Author:
Affiliation:
1. Max-Planck Institute for Polymer Research, Ackermannweg 10, D-55128 Mainz, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct700200b
Reference21 articles.
1. Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
2. Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations
3. A domain decomposition parallel processing algorithm for molecular dynamics simulations of polymers
4. LINCS: A linear constraint solver for molecular simulations
5. Constrained molecular dynamics: Simulations of liquid alkanes with a new algorithm
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