To Lammps users,
Using three types of atoms 1 2 3 (which is present in a single solute molecule)
(1) Had grouped them as
group molecule type 1 2 3
(which is dissolved in a solvent)
When the following compute command is given,
(2) compute 1 molecule rdf 100
how to get the output of this command?
Thanks,
Kulkarni.R
To Lammps users,
Using three types of atoms 1 2 3 (which is present in a single solute
molecule)(1) Had grouped them as
group molecule type 1 2 3
(which is dissolved in a solvent)
When the following compute command is given,
(2) compute 1 molecule rdf 100
how to get the output of this command?
there is an example in the compute rdf documentation. please be
certain to read about the restrictions of compute rdf as well.
axel.