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

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

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  • S
    S
    SHANLY
    wrote on last edited by
    #1

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

    DmitriyMarinD 1 Reply Last reply
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    • S SHANLY

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

      DmitriyMarinD
      DmitriyMarinD
      DmitriyMarin
      wrote on last edited by
      #2

      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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