[gmx-users] User-define non bonded table

[Steven Neumann]

Thank you, just getting into this. I just dont understand why they start
from x=0.04? Why not 0.02 or sth else?

Steven


On Fri, Jun 7, 2013 at 11:36 AM, Mohan maruthi sena
<maruthi.sena at gmail.com>wrote:

>  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.neumann08 at 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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