[gmx-users] question

Alex nedomacho at gmail.com
Fri May 15 16:26:47 CEST 2015


I am not sure anyone will be able to help, because this isn't really about
Gromacs. Can you please clarify who "they" are and what exactly you mean by
"perpendicular" when talking about surfactants? Also, what are those
surfactants? Anyway, a reference to a representative paper and some
instructions on where to quickly see what you're talking about would be
nice. Once again, this isn't something Gromacs-specific.

 On May 15, 2015 9:17 AM, "Golnaz Roudsari" <golnaz.chem at gmail.com> wrote:

> Dear gmx-user
> I want to simulate graphene and surfactants in water. In most of the paper
> they put surfactants perpendicular on the graphene sheet. I have problem in
> initial configuration. I do not know how They put them perpendicular on the
> graphene sheet. I can not put them random in my box because I do not have a
> perfect system for more than 50 ns MD run.
> Thank you in advance
> Golnaz Vahabpour
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