HOW TO GET THE UFF FORCE FIELD PARAMETER LIKE (PAIR COEFFECIENT, DIHEDRAL, IMPROPER COEEFECIENT )
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How to calculate the Force field parameter to run a molecular dynamic simulation
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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.2017.08.023And 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?