.. gromacs_ad_example: Using Gromacs for the Alanine Dipeptide example =============================================== This is the same as the introductory example using flexible length TPS, except that it uses Gromacs as the MD engine instead of OpenMM. ----- .. notebook:: examples/gromacs/AD_tps_1_trajectory.ipynb :skip_exceptions: ----- .. notebook:: examples/gromacs/AD_tps_2a_run_flex.ipynb :skip_exceptions: ----- .. notebook:: examples/gromacs/AD_tps_3a_analysis_flex.ipynb :skip_exceptions: