Update openmm_md/plain_md.ipynb

Co-authored-by: Irfan Alibay <[email protected]>

Author: hannahbaumann

openmm_md/plain_md.ipynb

@@ -146,6 +146,7 @@
     "settings = PlainMDProtocol.default_settings()\n",
     "settings.simulation_settings.equilibration_length_nvt = 0.01 * unit.nanosecond # setting the nvt equilibration length to 10 ps\n",
     "settings.simulation_settings.equilibration_length = 0.01 * unit.nanosecond # setting the npt equilibration length to 10 ps\n",
+    "# Setting the production length and checkpoint interval to 20 ps to match the trajectory write interval, so one frame will be written\n",
     "settings.simulation_settings.production_length = 0.02 * unit.nanosecond # setting the npt production length to 20 ps\n",
     "settings.output_settings.checkpoint_interval = 0.02 * unit.nanosecond # setting the checkpoint interval to 20 ps\n",
     "settings.engine_settings.compute_platform = 'CPU' # running the simulation on the cpu"