Amber the program will not do this. You can presumably use Amber the
force field in the program Gromacs if you read their manual.
Bill
On 6/1/17 10:08 AM, X Sun wrote:
> Hi,
>
> I got a new project from my advisor, and she asked me to run a simulation of graphene oxide. The graphene oxide should be infinitely large. The unit in one box should have covalent bonds with its image in the neighboring box. She told me this was possible, but she didn't know which package can do that. I find Gromacs can do this by setting periodic-molecules=yes that are for systems with molecules that couple to themselves through the periodic boundary conditions. But I am not familiar with how to use Gromacs. Could you tell me how to do that in AMBER?
>
> Thanks,
>
> Chris.
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Received on Thu Jun 01 2017 - 10:30:03 PDT
