GPAMM-software package for molecular dynamics on graphical processing units

MaRDI QIDQ3398377zbMATH OpenFDO

Authors D. S. Tarasov, E. D. Izotova, D. A. Alisheva, N. I. Akberova

Publication date 28 September 2009

Full work available at URL http://mathnet.ru/eng/mm/v21/i3/p31

Mathematics Subject Classification ID

Applications of graph theory (05C90) Software, source code, etc. for problems pertaining to biology (92-04) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Recommendations

• Enhanced molecular dynamics performance with a programmable graphics processor
• GPU-accelerated molecular dynamics simulation of solid covalent crystals
• General purpose molecular dynamics simulations fully implemented on graphics processing units
• PuReMD-GPU: A reactive molecular dynamics simulation package for GPUs
• Accelerating Molecular Dynamics Simulations on PlayStation 3 Platform Using Virtual-GRAPE Programming Model

Cited in

(8)

• GPAMM
• AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules
• PuReMD-GPU: A reactive molecular dynamics simulation package for GPUs
• The GROMACS and NAMD software packages comparison.
• Accelerating Molecular Dynamics Simulations on PlayStation 3 Platform Using Virtual-GRAPE Programming Model
• Langevin dynamics simulations of micromechanics on graphics processors
• Fast analysis of molecular dynamics trajectories with graphics processing units -- radial distribution function histogramming
• Enhanced molecular dynamics performance with a programmable graphics processor

Describes a project that uses

Uses Software

• AMBER

This page was built for publication: GPAMM-software package for molecular dynamics on graphical processing units

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q3398377)