Added a new gromacs tool, gmx insert-molecules. This will allow users to insert many copies of a molecule into a system, using only its .gro file. This tool has many uses, including setting up systems with non-water solvents and adding non-standard solutes (such as complex ions). Virtually any structure with a .gro file can become an inserting molecule. Cheers!
Added a new gromacs tool, gmx insert-molecules. This will allow users to insert many copies of a molecule into a system, using only its .gro file. This tool has many uses, including setting up systems with non-water solvents and adding non-standard solutes (such as complex ions). Virtually any structure with a .gro file can become an inserting molecule. Cheers!