Atomes provides an advanced input preparation system for calculations using well known molecular dynamics codes:
- Classical MD
- DL-POLY
- LAMMPS (work in progress)
- Ab-initio MD
- CPMD
- CP2K
- Hybrid QM-MM molecular dynamics
- CPMD (work in progress)
- CP2K (work in progress)
To prepare the input files for these calculations is likely to be the key, and most complicated step towards MD simulations.
atomes offers a user-friendly assistant to help and guide the scientist step by step to achieve this crucial step.
