[gmx-developers] Units in the force field parameter files

Mark Abraham Mark.Abraham at anu.edu.au
Thu Apr 6 04:49:49 CEST 2006

David Cerutti wrote:
> Hello,
>    I am trying to re-cast the GROMOS-96 forcefield in a different set of 
> topology files for my own code to read and work with.  When I see the 
> ffgmxbon.itp file, I am not certain what some of the fields mean:

Have a read of the manual - there are detailed sections that describe 
the potentials and the format of the .itp files.

>    Next, I just want to make sure that I recall correctly about GROMOS 
> (it's been awhile!): the dihedral parameters somehow apply depending 
> only on the center two atoms or something, but I forget how.  Can 
> someone explain?

Can you try the GROMOS manual or published papers for this?


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