lammps-6Apr13

PLUMED can be incorporated into LAMMPS using a simple patching procedure. Patching must be done before LAMMPS is configured. After patching, one should enable PLUMED using the command make yes-user-plumed In the same way, before reverting one should disable PLUMED using the command make no-user-plumed

Also notice that command "fix plumed" should be used in lammps input file after the relevant input parameters have been set (e.g. after "timestep" command)

Bug:
The provided patch does not pass the virial correctly to PLUMED (see https://github.com/plumed/plumed2/issues/377). If you need to perform constant pressure simulations you should download a LAMMPS version newer than November 2018, where the mentioned bug has been fixed, that natively supports PLUMED 2.4. If you need to use LAMMPS with fixed virial with PLUMED 2.3, you can compile LAMMPS with PLUMED 2.4 using runtime binding and then set the variable PLUMED_KERNEL to load PLUMED 2.3.

See also http://lammps.sandia.gov/doc/Section_commands.html for further info on processing LAMMPS input, as well as this discussion on github: http://github.com/plumed/plumed2/issues/67.

For more information on LAMMPS you should visit http://lammps.sandia.gov/