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molecular dynamics simulation software

LAMMPS is a classical molecular dynamics code, and an acronym for Large-sca...

📦 .zip⚖️ 19.9 MB📅 01 Mar 2026

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for . The program Blender was used for the rendering. This paper has further details.

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Please tell me tools for molecular dynamics simulation studies. Software fo...

📦 .zip⚖️ 119.2 MB📅 02 Nov 2025

Please tell me tools for molecular dynamics simulation studies. Software for Windows and . Other commercial software for MD simulations are, Amber, MOE.

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NAMD is another MD simulations engine, which is well optimized and run also...

📦 .zip⚖️ 92.5 MB📅 31 Oct 2025

NAMD is another MD simulations engine, which is well optimized and run also in Windows systems, without the need for the Cygwin. It is a free software, you will.

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VMD - Visual Molecular Dynamics, molecular graphics software for MacOS X, N...

📦 .zip⚖️ 25.1 MB📅 14 Dec 2025

VMD - Visual Molecular Dynamics, molecular graphics software for MacOS X, NAMD Molecular Dynamics Simulator Structural Biology Software Database.

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Tutorial: "How to run Interactive Molecular Dynamics", a very bri...

📦 .zip⚖️ 51.7 MB📅 31 Dec 2025

Tutorial: "How to run Interactive Molecular Dynamics", a very brief introduction; Tutorial: "Stretching Molecular dynamics simulation programs with IMD support.

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OpenMD is an open source molecular dynamics engine which is capable of a nu...

📦 .zip⚖️ 89.1 MB📅 22 Nov 2025

OpenMD is an open source molecular dynamics engine which is capable of a number of analysis and utility programs that are easy to use and modify. An OpenMD simulation is specified using a very simple meta-data language that is easy.

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Intel® technology helps optimize molecular dynamics software used in a A su...

📦 .zip⚖️ 74.6 MB📅 23 May 2026

Intel® technology helps optimize molecular dynamics software used in a A suite of programs that allow users to carry out molecular dynamics simulations.

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Packmol. Packmol creates an initial point for molecular dynamics simulation...

📦 .zip⚖️ 89.5 MB📅 28 Feb 2026

Packmol. Packmol creates an initial point for molecular dynamics simulations by packing Moldy is a general-purpose molecular dynamics simulation program.

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IMHO, best Molecular dynamics software is GROMACS - which is are good for G...

📦 .zip⚖️ 25.7 MB📅 19 Aug 2025

IMHO, best Molecular dynamics software is GROMACS - which is are good for GUI based application - but not for a full MD simulation runs.

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A complete molecular graphics and modeling program, including interactive m...

📦 .zip⚖️ 67.5 MB📅 20 Mar 2026

A complete molecular graphics and modeling program, including interactive molecular dynamics simulations, structure determination, analysis and prediction.

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Amber is a package of programs for molecular dynamics simulations of protei...

📦 .zip⚖️ 38.4 MB📅 04 Jun 2026

Amber is a package of programs for molecular dynamics simulations of proteins and nucleic acids.

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Software. MDWeb is powered by an Apache 2. web server with PHP 5. and MySQL...

📦 .zip⚖️ 90.6 MB📅 15 Jan 2026

Software. MDWeb is powered by an Apache 2. web server with PHP 5. and MySQL GROMACS, Molecular Dynamics Simulator, GROMACS

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Metrocubo is a highly compact hardware-software solution for running GPU ac...

📦 .zip⚖️ 108.7 MB📅 26 Feb 2026

Metrocubo is a highly compact hardware-software solution for running GPU accelerated molecular dynamics simulations that can reach supercomputing.

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ACEMD is a highly optimized molecular dynamics software built for GPUs. ACE...

📦 .zip⚖️ 43.2 MB📅 01 Oct 2025

ACEMD is a highly optimized molecular dynamics software built for GPUs. ACEMD has been used to perform molecular dynamics simulations of proteins.

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The molecular dynamics simulation blog highlights advances in MD software, ...

📦 .zip⚖️ 87.2 MB📅 18 Aug 2025

The molecular dynamics simulation blog highlights advances in MD software, hardware, methods, and applications.

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