Define molecule from the read_data data file for the fix gcmc.

Hello Lammps Users,

I am new to lammps. I would like to know whether there is a way to define molecules (for fixes like gcmc which use only molecule template) from the data file created from read_data command.

Thanking you in advance.

Regards,
Birva Patel

Hello Lammps Users,

I am new to lammps. I would like to know whether there is a way to define
molecules (for fixes like gcmc which use only molecule template) from the
data file created from read_data command.

​no.

the syntax is similar, but not the same, and the molecule command needs to
know different information and have organized differently, that what
read_data requires.
since fix gcmc makes the most sense for atoms or rather small molecules, it
should not be a big burden to write a molecule file directly in a text
editor.
the bigger challenge usually is to set up a meaningful simulation in the
first place.

axel.