<![CDATA[HOW TO GET THE UFF FORCE FIELD PARAMETER LIKE (PAIR COEFFECIENT, DIHEDRAL, IMPROPER COEEFECIENT )]]>How to calculate the Force field parameter to run a molecular dynamic simulation

]]>https://forum.samson-connect.net/topic/249/how-to-get-the-uff-force-field-parameter-like-pair-coeffecient-dihedral-improper-coeefecientRSS for NodeMon, 16 Mar 2026 05:40:23 GMTSat, 22 Jun 2024 08:42:51 GMT60<![CDATA[Reply to HOW TO GET THE UFF FORCE FIELD PARAMETER LIKE (PAIR COEFFECIENT, DIHEDRAL, IMPROPER COEEFECIENT ) on Mon, 01 Jul 2024 12:02:38 GMT]]>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?

]]>https://forum.samson-connect.net/post/1122https://forum.samson-connect.net/post/1122Mon, 01 Jul 2024 12:02:38 GMT