VMD-L Mailing List

From: MD Simulation (mdsimulationgroup_at_gmail.com)
Date: Mon Jun 14 2021 - 10:57:10 CDT

No worries!

In my question, I can write the first part of the sphere style, so the Atom
information, but using "topo writelammpsdata test.data sphere", this does
not write the Molecule information. Is that something I'll need to do
after the function call?

Thanks!

On Mon, Jun 14, 2021 at 11:55 AM Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> apologies. I am responding to too many mailing list e-mails today and lost
> track of the folder...
>
> On Mon, Jun 14, 2021 at 11:54 AM MD Simulation <
> mdsimulationgroup_at_gmail.com> wrote:
>
>> 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!vJ8XBkujY6sVZZtOzNpau08EnRmxEz1GUKiCAoN444FzoxM72LDZENun37u3mRFMIw$
>>>> <https://urldefense.com/v3/__https://github.com/lammps/lammps/blob/master/examples/ASPHERE/box/data.box__;!!DZ3fjg!uqDyRuC7edvJ4euZvBS1wg-O7Ix-hjaeX_LBQbG7M_s_Qx8kSlq6SvXEeVeYuAUjdA$>
>>>>
>>>> Thanks for the help,
>>>> Stacey
>>>>
>>>
>>>
>>> --
>>> Dr. Axel Kohlmeyer akohlmey_at_gmail.com https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!vJ8XBkujY6sVZZtOzNpau08EnRmxEz1GUKiCAoN444FzoxM72LDZENun37vJF0DMXg$
>>> College of Science & Technology, Temple University, Philadelphia PA, USA
>>> International Centre for Theoretical Physics, Trieste. Italy.
>>>
>>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!vJ8XBkujY6sVZZtOzNpau08EnRmxEz1GUKiCAoN444FzoxM72LDZENun37vJF0DMXg$
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
>