[gmx-users] Perfluorohexane

[Marcelo Silva]

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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