Hi Marcelo please, take a look here: DOI: 10.1016/j.jcis.2008.10.018 I guess the authors could send you a pdb.
Cheers, Ángel. On Mon, 2011-01-10 at 17:59 +0000, Marcelo Silva wrote: > 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 > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
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