[gmx-users] Potential Tables.
suzen at theochem.tu-muenchen.de
Tue Jan 8 20:27:52 CET 2002
David van der Spoel wrote:
> You set the variables in the mdp file and you pass a table.xvg file to
> mdrun. There are two (contradictory) explanations in the manual. You need
> a single file with 7 columns of data: x, and 6 y values. There are also
> some sample files in /usr/local/gromacs/share/top
The bottom line is by which directive should I provide those parameters
topology file? Is it [ nonbond_params ] ? If so, how gromacs would
understand which table
belongs to which interaction? Briefly, I couldn`t find specification of
in section 5.6.1 but other potentials.
I have X and Y particle and I need 3 different tables for X-X, Y-Y and
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