Tag: Coarse-grained Model

RedMD 2.3 – Perform Molecular Dynamics Simulations for Coarse-grained Models

RedMD 2.3

:: DESCRIPTION

RedMD (Reduced Molecular Dynamics) is a an open source software to perform molecular dynamics simulations for coarse-grained models of proteins, nucleic acids and their complexes. Simulations can be carried out in the microcanonical ensemble, with Berendsen and Langevin thermostats, as well as with Brownian dynamics.

::DEVELOPER

Biomolecular Machines Laboratory 

:: SCREENSHOTS

n/a

:: REQUIREMENTS

  • Linux

:: DOWNLOAD

 RedMD

:: MORE INFORMATION

Citation

Adam Gorecki, Marcin Szypowski, Maciej Dlugosz, Joanna Trylska,
RedMD – reduced molecular dynamics package,
J. Comput. Chem., 30:2364-2373, 2009

SIRAH 2.2 – Mapping, Backmapping and Visualization of Coarse-grained Models

SIRAH 2.2

:: DESCRIPTION

SIRAH Tools (Southamerican Initiative for a Rapid and Accurate Hamiltonian) comprises a set of utilities to convert all-atoms coordinates to arbitrary residue-based CG schemes, write GROMACS’ topological information at any resolution into PSF format and a VMD plugin to visualize, analyze and retrieve pseudo-atomistic information from CG trajectories performed with the SIRAH force field.

::DEVELOPER

SIRAH team

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux /  MacOsX
  • AMBER/ GROMACS

:: DOWNLOAD

 SIRAH

:: MORE INFORMATION

Citation

Bioinformatics. 2016 Jan 14. pii: btw020.
SIRAH Tools: mapping, backmapping and visualization of coarse-grained models.
Machado M, Pantano S

Exit mobile version