Journal of Chemical Theory and Computation· 2013Q1
Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald
- 3,578citations
- Q1SCImago
- 2013year
Short summary
A new implementation allows explicit solvent molecular dynamics simulations to run entirely on GPUs using the AMBER package, achieving statistically indistinguishable results from CPU versions but with significantly higher performance.
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Atomic and Molecular Physics, and OpticsPhysics and Astronomy