[gmx-users] How to add a new non-bonded interaction into Gromacs

Mark Abraham Mark.Abraham at anu.edu.au
Tue Mar 2 05:56:13 CET 2010


On 2/03/2010 4:22 AM, Tandia, Adama wrote:
> Dear ALL:
>
> I would like to add a new 2-body non-bonded interaction into Gromacs.
> Has anybody done this yet?
> Help is dearly appreciated.

This is what user-tables are for. Check out the manual for detailed 
information.

Mark



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