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Author Topic: Force Field Problem  (Read 1534 times)

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caldae

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Force Field Problem
« on: August 06, 2009, 11:06:16 AM »

Hey Guys,
i'm new and i hope this problem is set in the right forum:
Well, i'm working on a school project and for this i need a good force field simulation like MMFF94 in the "Avogadro" Software. I've already started to try it on my own and the results are not too bad, but not that good as I can use them for my software project.
My Problem: I need such a simulation software to use, the visualization is not the main part, i just need any algorith or module which can optimize the structures my software is producing.
So I'm looking for:
- any (free) software i can use for this, i don't need any graphical user interface or stuff like taht, only an idea to optimize an rough structure (the molecules are not that big, no macro molecules!)

Sry for bad English.
Thanks, cladae
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