GRO2LAM integration in SAMSON

  • Dear SAMSON Team,

    Is there any way in SAMSON to use generated Gromacs file in LAMMPS or generate LAMMPS input/data files?
    I know GRO2LAM software, it is a python package. Will it be available this software or other same software in SAMSON in the future?

    Best regards,
    Patrik Molnár

  • Dear @Patrik ,
    Thank you for the feature request! For now, there is no possibility to generate LAMMPS input files in SAMSON and to use generated GROMACS files in LAMMPS. We thought about implementing in the future a LAMMPS wizard for generating input and data files for LAMMPS and launching simulations, including simulations in the cloud.

  • Dear @DmitriyMarin
    Thank you for your reply!
    Yes, that LAMMPS wizard would be wonderful.

    Best regards,
    Patrik Molnár

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