Dear User,
I would like to convert lammps data to .car and .mdf files. I checked the mailing list in which moltemplate can be used for this purpose. Can I use the current versions of lammps and moltemplate to convert the calculated data file to .car and .mdf files of material studio.
Best regards,
Dorji
Standard LAMMPS data file have no “string” information about atom types and residue names and so on.
Atom types and molecule ids in LAMMPS are simple numbers. However, .car and .mdf files need that string information. So there is no simple way to convert data files back without extra processing, provided you have the information you need to restore available somewhere.
Axel.