Molecular Dynamics input file

Discuss all topics pertinent to MD simulations: software, methods, algorthms, etc.

Molecular Dynamics input file

Postby GhostRider on Sat Aug 09, 2008 12:52 pm

Hi,

I'm writing a Molecular Dynamics Simulation program in c/c++. At this moment I am looking for a suitable input file (topology file ...) or a file with the initial positions of the atoms. I will be simulating glass transitions and supercooled liquids. At this moment I want to try a - monoatomic susbtance, then I'll pass on to simulate a silica glass (SiO2) and so forth ...

Can someone give a hint or a direction about where to get a reasonable input file?

Thanks!
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Molecular Dynamics input file

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