Molecular Dynamics Simulation Pdf
PFMD performs a Molecular Dynamics simulation of some polarizable fluids at the liquid state by means of a dissociable potential. Supported molecules are H2O (water) and MX3, where M is a metal among Al, Fe, or Ga and X is a halogen among Cl, Br, or I.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 347.03 KB | Download (47): Polarizable Fluids Molecular Dynamics Download |
The Molecular Dynamics Adiabatic Piston model shows two gas samples within a horizontal cylinder that is divided by an insulated piston that moves without friction. It is a supplemental simulation for an article by Eric Gislason "A close examination of the motion of an adiabatic piston" in the...
Platforms: Mac
License: Freeware | Size: 1.12 MB | Download (38): Molecular Dynamics Adiabatic Piston Model Download |
The EJS Molecular Dynamics model is constructed using the Lennard-Jones potential truncated at a distance of 3 molecular diameters. The motion of the molecules is governed by Newton's laws, approximated using the Verlet algorithm with the indicated time step. For sufficiently small time steps dt,...
Platforms: Mac
License: Freeware | Size: 1.3 MB | Download (36): Molecular Dynamics Model Download |
The EJS Molecular Dynamics Demonstration model is constructed using the Lennard-Jones potential truncated at a distance of 3 molecular diameters. The motion of the molecules is governed by Newton's laws, approximated using the Verlet algorithm with the indicated Time step. For sufficiently small...
Platforms: Mac
License: Freeware | Size: 1.3 MB | Download (38): Molecular Dynamics Demonstration Model Download |
A Kirchhoff elliptic vortex is a 2D elliptical region (or d-deDUpatchd-deDt) of uniform vorticity embedded in an inviscid, incompressible and irrotational fluid. G. Kirchhoff showed that these are exact solutions to the nonlinear Euler equations in 1876.Subsequently, A. E. H. Love analyzed the...
Platforms: Matlab
License: Freeware | Size: 829.44 KB | Download (47): Kirchhoff Vortex Contour Dynamics Simulation Download |
LAMMPS project is a Molecular Dynamics Simulator. LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grain systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the mesoscale...
Platforms: *nix
License: Freeware | Download (129): LAMMPS Download |
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded...
Platforms: Mac, Linux
License: Freeware | Size: 9.92 MB | Download (675): Gromacs for Mac OS X and Linux Download |
Sander is the AMBER module which carries out energy minimization, molecular dynamics, and NMR refinements. The acronym stands for Simulated Annealing with NMR-Derived Energy Restraints, but this module is used for a variety of simulations that have nothing to do with NMR refinement. Sander uses...
Platforms: Mac
License: Shareware | Cost: $0.00 USD | Size: 143.36 KB | Download (41): Sander 8 Job Controls Download |
Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is...
Platforms: Windows
License: Freeware | Size: 5.2 MB | Download (420): Open3DALIGN x64 Download |
The Ascalaph Designer application was developed for molecular models and simulations. Using this application you can simulate, molecular graphics, optimization, molecular dynamics, quantum chemistry.
Features:
Molecular graphics
Multiple windows
Two cameras per model
CPK, Wire frame,...
Platforms: Windows
License: Freeware | Size: 72 MB | Download (442): Ascalaph Designer Download |
Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is...
Platforms: Mac
License: Freeware | Size: 3.6 MB | Download (434): Open3DALIGN for Mac OS X Download |
Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is...
Platforms: Windows
License: Freeware | Size: 4.1 MB | Download (424): Open3DALIGN Download |
Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is...
Platforms: Linux
License: Freeware | Size: 3.3 MB | Download (430): Open3DALIGN for Linux Download |
Molecular Workbench simulation of a polypeptide crystal. Use the slider in the top right to increase the temperature of the system until the polypeptides lose their original form. Cool the system. Why don't the polypeptides regenerate their original forms?
Platforms: Mac
License: Shareware | Cost: $0.00 USD | Size: 1.02 KB | Download (44): Pressure on water Download |
ToBiX is a Morphix-based Linux live CD containing a range of specialist applications for bioinformatics. With this distrubution you just boot from the CD and you have a fully functional LINUX OS distribution with open source applications. Besides using some RAM, ToBiX doesnt touch the host...
Platforms: *nix
License: Freeware | Size: 457.2 MB | Download (91): ToBiX Download |
jSim for Gromacs is a Graphical User Interface for the Molecular Dynamics Package Gromacs. It has a project style interface to organize your md simulations. It is also possible to start md simulations on remote computers with ssh.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 7.19 MB | Download (45): jSim for Gromacs Download |
This project aims to develop a cross platform environment for utilisation of various open source and freely available molecular dynamics and bioinformatics tools. Some extra features are included such as protein hydrophobicity and hydrophilicity plots.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 5.17 KB | Download (45): MolecuLab - Modelling Interface Download |
The Sphinx project is dedicated to create common accessible environment for system dynamics simulation. This software is developed on Java 6 platform and use Java Swing GUI.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 5.64 MB | Download (45): Sphinx SD Tools Download |
MDAnalysis is an object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. It allows one to read molecular dynamics trajectories and access the atomic coordinates through numpy arrays. This provides a flexible and relatively...
Platforms: Mac
License: Freeware | Size: 19.01 MB | Download (42): MDAnalysis Download |
MDAnalysis is an object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber. It allows one to read molecular dynamics trajectories and access the atomic coordinates through numpy arrays. This provides a flexible and relatively...
Platforms: *nix
License: Shareware | Cost: $0.00 USD | Size: 18.25 MB | Download (33): MDAnalysisTests Download |