:orphan: true .. _gromacs-system-modification: ############################################################### Gromacs system modification ############################################################### This protocol performs `modifications `_ over a Gromacs System, specially over its trajectory. The modifications include: - **Cleaning**: removing waters and ions - **Fitting**: Fit trajectory to initial structure - **Dropping**: Cut a trajectory, saving only from first to last specified times - **Subsampling**: Subsample trajectory frames - **Filtering**: Perform low/high pass filters on trajectory frames Input ---------------------------------------- .. include:: ../../../templates/plugins/input-help.rst .. image:: ../../../../_static/images/plugins/gromacs/system-modification/form.png :alt: Gromacs system modification form 1 :height: 400 :align: center | The result of this protocol is a ``GromacsSystem``, containing the modified Gromacs files and trajectory. The user can visualize the complex using **Analyze Results**. .. |testCommand| replace:: gromacs.tests.tests.TestGromacsTrajMod .. include:: ../../../templates/plugins/protocol-test.rst