Could you consider adding this to the development roadmap? Integrating a PLUMED interface within the molecular dynamics simulation module of the MLAtom project would significantly enhance its sampling capabilities. This integration could streamline the study of complex processes and improve the accuracy of potential energy surface representations. Thank you very much!
Could you consider adding this to the development roadmap? Integrating a PLUMED interface within the molecular dynamics simulation module of the MLAtom project would significantly enhance its sampling capabilities. This integration could streamline the study of complex processes and improve the accuracy of potential energy surface representations. Thank you very much!