@Amber-MD

Amber Molecular Dynamics

For experienced Amber users: development versions of some parts of AmberTools

Pinned repositories

  1. setup-scripts

    Place to store some setup scripts.

    Shell 1

  2. repo-notes

    An entry point. Please add a brief note here if you adding a new github repo.

  • Using ParmEd for pdb4amber.

    Python 1 1 Updated Jan 22, 2017
  • Place to store some setup scripts.

    Shell 1 Updated Jan 21, 2017
  • Biomolecular simulation trajectory/data analysis.

    C++ 17 14 Updated Jan 20, 2017
  • tips to work on github

    Updated Jan 20, 2017
  • Multi-user server for Jupyter notebooks for AMBER users. Works fine for small group of users.

    Shell Updated Jan 10, 2017
  • A place to hold auto-generated API documentation for some packages in AMBER

    HTML Updated Jan 9, 2017
  • conda-recipes for some packages (experiment).

    Shell 1 2 Updated Jan 5, 2017
  • Interactive data analysis for molecular dynamics simulations

    Jupyter Notebook 27 8 Updated Jan 5, 2017
  • ambertools-conda-build. Absolutely experimental.

    Python 1 1 Updated Dec 31, 2016
  • nglview

    Forked from arose/nglview

    IPython widget to interactively view molecular structures and trajectories

    Jupyter Notebook 15 Updated Dec 30, 2016
  • An entry point. Please add a brief note here if you adding a new github repo.

    Updated Dec 21, 2016
  • ParmEd

    Forked from ParmEd/ParmEd

    Parameter/topology editor and molecular simulator

    Python 1 35 Updated Dec 13, 2016
  • To build docker image

    Shell Updated Dec 13, 2016
  • Alternative MD engine written by David Cerutti

    1 Updated Dec 7, 2016
  • some scripts for amber build. Please do not use them yet.

    Python Updated Dec 5, 2016
  • Embarrassing parallel for beginner

    Python Updated Nov 17, 2016
  • Playground for mdgx python interface.

    Python 2 Updated Nov 17, 2016
  • Python Metal Site Modeling Toolbox

    Python 5 6 Updated Nov 16, 2016
  • Shell 2 Updated Oct 26, 2016
  • mdsrv

    Forked from arose/mdsrv

    MD trajectory server (please read README below)

    JavaScript 3 Updated Sep 25, 2016
  • Unofficial notes about installing AMBER. Please always check manual and amber website (http://ambermd.org/) first

    HTML 1 Updated Aug 30, 2016
  • Python bindings to sander API

    C 2 2 Updated Aug 10, 2016
  • Some AMBER tutorials written in Jupyter notebook - PR is welcome

    2 Updated May 7, 2016
  • Automatically generate input for running M-REMD simulations (and more) in Amber.

    C++ 2 Updated Oct 8, 2015
  • Program to calculate statistics of protonation states from constant pH molecular dynamics simulations run by the Amber program suite

    C++ 1 Updated Dec 10, 2014
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