when using gromacs.dipoles it produces an error, I assume that this is because when run normally through the terminal gmx dipoles prompts the user to select a group to analyze, similar to how gmx energy or gmx pdb2gmx would do. Is there a workaround for this or will commands like that simply not work.
when using gromacs.dipoles it produces an error, I assume that this is because when run normally through the terminal gmx dipoles prompts the user to select a group to analyze, similar to how gmx energy or gmx pdb2gmx would do. Is there a workaround for this or will commands like that simply not work.