VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Jun 14 2021 - 10:52:29 CDT

a) topotools is a *VMD* plugin, so you should ask your question on the VMD
mailing list, not a LAMMPS list
b) yes, topotools supports output to atom style sphere. It uses the radius
and (per-type) mass properties and converts them to diameter and density

On Mon, Jun 14, 2021 at 11:42 AM MD Simulation <mdsimulationgroup_at_gmail.com>
wrote:

> Hello,
>
> Is there a setting for topotools to write the molecule information for the
> lammps style sphere?
>
> I would like an output file similar to the one here:
> https://urldefense.com/v3/__https://github.com/lammps/lammps/blob/master/examples/ASPHERE/box/data.box__;!!DZ3fjg!v1yCEzgNP8aUqxph9qJ-ZO6b7WX2NHocABztP2V608YysOlU8tAmOFvm6dByvFUtHQ$
> <https://urldefense.com/v3/__https://github.com/lammps/lammps/blob/master/examples/ASPHERE/box/data.box__;!!DZ3fjg!uqDyRuC7edvJ4euZvBS1wg-O7Ix-hjaeX_LBQbG7M_s_Qx8kSlq6SvXEeVeYuAUjdA$>
>
> Thanks for the help,
> Stacey
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!v1yCEzgNP8aUqxph9qJ-ZO6b7WX2NHocABztP2V608YysOlU8tAmOFvm6dBoG2PU7A$ 
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.