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PIMD software comparison.

  1. Oct 24, 2009 #1
    I am planning to do some simulations using path integral molecular dynamics approach. I have never used it before, so I would like to have some information concerning packages that are used for that kind of simulations.

    I am aware of PINY and CPMD packages for PIMD. Which one is better? Are there any others? What was your experience using these?

    Thank you in advance.
     
  2. jcsd
  3. Oct 27, 2009 #2

    alxm

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    'Better' is pretty subjective, not least with MD. Your results will be as good as your model and parameters, etc, more or less. It's really more an issue of which software has better features, or the features you need. There are benchmark studies out there though.

    I haven't used either; but I've used http://ambermd.org/" [Broken], which I know has PIMD methods.
     
    Last edited by a moderator: May 4, 2017
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