i’m running lammps in nersc. I’m running a MD simulation and will like to compute the
msd. For this i used the command fix msd. The way i introduced the command is this:
fix 3 all msd 1000 diff.dat com yes
But i get this message:
ERROR: Illegal fix msd command
The fix msd command seems ok to me, so i suspect fix msd is part of a particular package
not yet built in lammps at nersc.
I’ve tried to find info. regarding the package to which fix msd belongs to, but i cannot find
it in the manual.
Does fix msd belongs to a particular package that needs to be specified when building
lammps? If so, which one is it?