Hi Neumann,
You can use tabulated potential option in
gromacs. Please check the site given below:
http://www.gromacs.org/Documentation/How-tos/Tabulated_Potentials
Thanks,
Mohan
On Fri, Jun 7, 2013 at 3:38 PM, Steven Neumann <s.neuman...@gmail.com>wrote:
> Dear Gmx Users,
>
> I want to specify a table to mdrun for non bonded parameters. I wish to set
> it up for all atoms with same potential. Is there any example of the table
> like this? I want use my specific potential so table should have two
> columns: X distance [nm] and Y Potential energy {kJ/mol]. Is that right?
> How can I tell gromacs to use it for all interactions?
>
> Thanks
>
> Steven
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