Error in Loading atom_style hybrid LAMMPS data file in VMD

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1

Dear Users,
I have simulated a system in LAMMPS using hybrid atom_style ( atom_style hybrid angle sphere). But I was not able to load the data file of the simulation in VMD. Because initially when I was using a single atom style I use the command in Tk console as ’ topo readlammpsdata file.data <atom_style>’. It works fine at that time. But here I can not specify the atom style as I am using a hybrid style not a single style. How can I solve this problem?
Is it possible to visualise the LAMMPS data file generated by a hybrid atom_style uisng VMD?

Please give me some suggestions…

Thanks in advance

-Ligesh

2

Dear Users,
   I have simulated a system in LAMMPS using hybrid atom_style ( atom_style hybrid angle sphere). But I was not able to load the data file of the simulation in VMD. Because initially when I was using a single atom style I use the command in Tk console as ' topo readlammpsdata file.data <atom_style>'. It works fine at that time. But here I can not specify the atom style as I am using a hybrid style not a single style. How can I solve this problem?

you would have to modify the TopoTools plugin for VMD to support
hybrid styles. TopoTools only supports the most common atom styles.

Is it possible to visualise the LAMMPS data file generated by a hybrid atom_style uisng VMD?

not data files with hybrid styles. you have to output your system in a
format supported by VMD where the atom style does not matter, e.g.
using write_dump

axel.

3

Thanks for your reply. As you said, what modification is need in topotools to support hybrid style? If possible can you please tell me where I need to modify?

4

Thanks for your reply. As you said, what modification is need in topotools to support hybrid style? If possible can you please tell me where I need to modify?

you have to (obviously) modify the file topolammps.tcl possibly in a
few places, but most certainly the function
::TopoTools::readlammpsatoms
if i knew all the details and how to do it, i would have already done
it, of course.

best you start by forking the official TopoTools GitHub repo at
https://github.com/akohlmey/topotools, then create a branch to work
on, commit your changes, and be sure to submit (after proper
generalization and testing for portability) your changes as a pull
request for inclusion in future TopoTools releases.

axel.

5

Thank you… Anyway I will try once…