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Topic: Cheminformatics: Molecular Dynamic Simulation software  (Read 13254 times)

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Offline mobfesk2

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Cheminformatics: Molecular Dynamic Simulation software
« on: September 04, 2007, 10:35:31 AM »

Hi,

Does anyone know where I can get hold of a molecular dynamic simulation software? Preferably a free one?

Thanks
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Offline FeLiXe

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Re: Cheminformatics: Molecular Dynamic Simulation software
« Reply #1 on: September 04, 2007, 01:21:34 PM »
GAMESS has a free license. it has an MD function. I've never tried it but I am pretty sure it works
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Offline deadally

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Re: Cheminformatics: Molecular Dynamic Simulation software
« Reply #2 on: October 09, 2007, 08:46:24 PM »
NWChem is a nice bit of software.  You gotta apply to get it from the site, but that's pretty common.  It uses AMBER forcefields and all that to run semi-empirical calculations, but I'm pretty sure it can step up to ab initio...

It SHOULD be free, but I'm not absolutely certain if you're not a professor.  Worth a shot anyway, since it's not a bad program at all!

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