[gmx-users] how can I create gromos and top file for graphene

Justin Lemkul jalemkul at vt.edu
Tue Oct 16 15:31:26 CEST 2012

On 10/15/12 5:53 PM, Yihua Zhou wrote:
> Dear Sir/Madam
> I am trying to use GROMACS to simulate DNA translocation through graphene
> nanopore, however, I don’t know how to create the *.top and *.gro files for
> my case, I know I can use pdb2gmx to obtain topology and gromos file for
> DNA, but I don’t know how to obtain the necessary files for grapheme, could
> you please give me some suggestions?

Some related advice:




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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