GROMACS Wizard – Pre-processing of the system
This section is a part of the GROMACS Wizard tutorial. Load the system In this tutorial, we will be using the 1AKI structure. You can download it from the RCSB Protein Data Bank website by clicking on Home > Fetch. Enter the PDB code 1AKI (you can select any format: PDB, PDBx/mmCIF, or MMTF), and click Load. Depending on the format, a pop-up dialog will appear asking about import parameters – you can leave them to their default values. If you … Continue reading GROMACS Wizard – Pre-processing of the system
