RDF related question

Hi,

I want to calculate the RDF of my system. I wrote the command like

compute 1 all rdf 100 1 1

but lammps is showing the error that invalid compute style. I specified the command after system initialization and system equilibration step. I could not understand the reason. I have March 2010 version of lammps. Any help would be appreciated in this matter

Siladitya

Hi,
I want to calculate the RDF of my system. I wrote the command like
compute 1 all rdf 100 1 1
but lammps is showing the error that invalid compute style. I specified the
command after system initialization and system equilibration step. I could
not understand the reason. I have March 2010 version of lammps. Any help
would be appreciated in this matter

have you considered updating to the current version of lammps?

things are changing occasionally and the online documentation always
reflects the current version. if you are using a "historic" version of lammps,
you have to refer to the embedded documentation and otherwise are
mostly on your own.

cheers,
    axel.

Hi Axel,

Thanks, I think I should update it to the current version and then run the simulation.

Siladitya