[gmx-users] User-define non bonded table

Mohan maruthi sena maruthi.sena at gmail.com
Fri Jun 7 12:36:28 CEST 2013

 Hi Neumann,
                            You  can use tabulated potential option in
gromacs. Please check the site given below:


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
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

More information about the gromacs.org_gmx-users mailing list