Biomolecular simulation: Difference between revisions
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(→Software Packages: added links for MM/MD-related modules recently installed) |
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* [http://www.scd.stfc.ac.uk/SCD/44516.aspx DL_POLY] | * [http://www.scd.stfc.ac.uk/SCD/44516.aspx DL_POLY] | ||
* [http://lammps.sandia.gov/ LAMMPS] | * [http://lammps.sandia.gov/ LAMMPS] | ||
* [https://openkim.org/ OpenKIM], the Knowledgebase of Interatomic Models | |||
* [https://simtk.org/home/openmm OpenMM] | * [https://simtk.org/home/openmm OpenMM] | ||
* [http://www.plumed-code.org PLUMED], a library for code development related to the calculation of free energy in molecular dynamics simulations. See also [[GROMACS]]. | * [http://www.plumed-code.org PLUMED], a library for code development related to the calculation of free energy in molecular dynamics simulations. See also [[GROMACS]]. | ||
* [https://www.rosettacommons.org Rosetta] | * [https://www.rosettacommons.org Rosetta] | ||
Revision as of 20:22, 15 January 2018
This article is a draft
This is not a complete article: This is a draft, a work in progress that is intended to be published into an article, which may or may not be ready for inclusion in the main wiki. It should not necessarily be considered factual or authoritative.
General
At this location the Biomolecular Simulation Team will create a discipline guide on Biomolecular Simulation and Molecular Dynamics.
Software Packages
The following software packages are available on Compute Canada's HPC resources: