VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat Feb 15 2020 - 11:09:48 CST

https://sites.google.com/site/akohlmey/software/topotools/topotools-tutorial---various-tips-tricks#TOC-Combine-multiple-data-files-with-overlap-detection-and-removal

On Sat, Feb 15, 2020 at 11:53 AM Amir Afshar <amir.afshar3_at_gmail.com> wrote:

> Dear Axel,
>
> I have built a setup simulation of water confined by graphene sheets. For
> this, I used the "mergemols" in "topotools" option in VMD. Would you please
> let me know how I can check and remove if there is any overlap between the
> atoms in my merged data file?
>
> I used the Nanotube builder in VMD and generated graphene sheets, then I
> added the water box through "topo readlammpsdata" option then merged two
> structures.
>
> Thank you very much.
>
> Regards
> --
> Regards,
> Amir Afshar
>
> 

-- 
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.