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    HOW TO GET THE UFF FORCE FIELD PARAMETER LIKE (PAIR COEFFECIENT, DIHEDRAL, IMPROPER COEEFECIENT )

    Simulation
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      SHANLY last edited by

      How to calculate the Force field parameter to run a molecular dynamic simulation

      DmitriyMarin 1 Reply Last reply Reply Quote 0
      • DmitriyMarin
        DmitriyMarin @SHANLY last edited by

        Dear @SHANLY ,

        You can find the description of the UFF and IM-UFF used in SAMSON in the following papers:
        UFF: https://doi.org/10.1002/jcc.24309
        IM-UFF: https://doi.org/10.1016/j.jmgm.2017.08.023

        And you can find information on how to perform simulations in SAMSON using the integrated force fields in the User Guide: Modeling and Simulation.

        Could you please tell us more about what you would like to achieve?

        Dmitriy,
        The SAMSON Team, https://s-c.io

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