[gmx-users] Perfluorohexane

Marcelo Silva jokler79 at hotmail.com
Mon Jan 10 18:59:47 CET 2011

Hi everybody,

I was looking for the structure of perfluorohexane to create the pdb file to use with gromacs but I can't find anywhere. I have also looked in pdb databases. Do you know any paper where the structure is reported? Is it possible to use gromacs to do the geometry optimization?

Thank you
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