The final FF parameters defining the intramolecular term of the resulting QMD-FF can then be obtained by the parameterization procedure described in Section 2.3. In this framework, a further new feature now available in JOYCE3.0, consists of the possibility of exporting the full list of parameters directly in the format expected by several MD packages of widespread use, such as GROMACS, LAMMPS or CHARMM (as implemented in the CP2K program package ) so that it can be added to any collection of intermolecular parameters. However, as discussed below, caution is necessary when using codes other than GROMACS in conjunction with the JOYCE QMD-FF, as not all functions are supported by other software. Notably, the JOYCE approach is based on an exact partition of the total QMD-FF energy into separate intramolecular and intermolecular terms, allowing for the straightforward merging of the JOYCE3.0 parameters with the most suitable set of intermolecular ones, either sourced from literature databases or obtained through other QMD-FF parameterizations.