[gmx-users] initial structures for md simulations

[oguz gurbulak]

Dear All, 

  

I want to generate some initial crystalline structures of
my target molecules for md simulations. Are there any free softwares to do this?

 

And are there any complete sources that give the
theoretical structures of organic molecules ( like hydrocarbons ) determined by
the experiments  and give the x-ray, neutron scattering, NMR, IR or Raman
results of organic molecules apart from the articles ? Could you please share
your  thoughts about this issue ? 

  

Thank you very much for your attention. 

  

Kind regards. 




      
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