diff --git a/docs/source/usage.rst b/docs/source/usage.rst index b9404e4..4c3736a 100644 --- a/docs/source/usage.rst +++ b/docs/source/usage.rst @@ -53,6 +53,23 @@ following terminal message: You are now ready to connect to the simulation engine with a client. +LAMMPS +------ +To use IMDv3 with LAMMPS, add the following lines to your LAMMPS input script: + +.. code-block:: none + + fix ID group-ID imd trate version 3 unwrap time box coordinates velocities forces + +Once the simulation is ready for a client connection, it will print +following terminal message: + +.. code-block:: none + + Waiting for IMD connection on port + +You are now ready to connect to the simulation engine with a client. + Using IMDClient with MDAnalysis ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^