Q. What are the input files for rxmd? A. rxmd has three input files ‘rxmd.in’ defines simulation input, ‘DAT/rxff.bin’ for atom type, coordinates, and simulation box dimensions. You also need ‘ffield’ file that defines ReaxFF parameters. Q. How many CPU can I use to run rxmd? A. Technically as many CPU/cores as you want. rxmd is linear scalable and it … Read More