Dear Lammps users,
I have a question about post processing lammps data. I want to calculate the radial distribution function of the center of mass of molecules. I have computed and use fix ave/time to output a file to store the COM, but I don’t know how to do next. I searched and found VMD is able to calculate the g®, but an input trajectory needs to be load in first. How can I translate and load my COM file from lammps to VMD? Thanks very much.
Sorry if I may ask stupid questions.
Best Regards,
Jing Liu
Dear Lammps users,
I have a question about post processing lammps data. I want to calculate the
radial distribution function of the center of mass of molecules. I have
computed and use fix ave/time to output a file to store the COM, but I don't
know how to do next. I searched and found VMD is able to calculate the g(r),
but an input trajectory needs to be load in first. How can I translate and
load my COM file from lammps to VMD? Thanks very much.
figure out what file formats VMD supports and write a converter
program, that can translate the file into a supported format. or write
a plugin/script for your format.
Sorry if I may ask stupid questions.
the most stupid part is that you are asking a question about VMD in a
forum about LAMMPS.
The pattern of compute com/molecule output (n*3 matrix) is very close to that of xyz-format. Some simple replace command is sufficient for the conversion.
You may need to learn some basic knowledge about file formats.