VMD-L Mailing List

From: MD Simulation (mdsimulationgroup_at_gmail.com)
Date: Mon Jun 14 2021 - 10:54:16 CDT

Hey Axel,

Thanks for the reply. Also, I did ask the question on the VMD mailing list
😁

Cheers,
Stacey

On Mon, Jun 14, 2021, 11:52 AM Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> 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!raQJAUFsvCaW1U-i4Q4O4Zol5hOEsnFBa95gUca4Ladr8upMS8aQ27LQwd0-8DTwfw$
>> <https://urldefense.com/v3/__https://github.com/lammps/lammps/blob/master/examples/ASPHERE/box/data.box__;!!DZ3fjg!uqDyRuC7edvJ4euZvBS1wg-O7Ix-hjaeX_LBQbG7M_s_Qx8kSlq6SvXEeVeYuAUjdA$>
>>
>> Thanks for the help,
>> Stacey
>>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!raQJAUFsvCaW1U-i4Q4O4Zol5hOEsnFBa95gUca4Ladr8upMS8aQ27LQwd234v0Gqg$
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
>