VMD-L Mailing List

From: Amir Afshar (amir.afshar3_at_gmail.com)
Date: Thu Feb 20 2020 - 16:12:17 CST

Dear Axel,

Thank you. I want to know does it matter if I apply Amber or OPLS force
fields on carbon atoms of graphene sheets which are made by VMD?

Best.

On Thu, Feb 20, 2020 at 3:54 PM Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

>
>
> On Thu, Feb 20, 2020 at 4:47 PM Amir Afshar <amir.afshar3_at_gmail.com>
> wrote:
>
>> Dear Axel,
>>
>> I built graphene sheets using nanotube builder in VMD. May you please let
>> me know which force field was applied by default in the package to model
>> the graphene sheets?
>>
>
> none. VMD doesn't care in any way about force fields. The geometries are
> built based on experimental data or rather the default settings are. You
> can change them in any way you like.
>
> Thank you.
>>
>> best regards
>>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
>