[gmx-users] Table.xvg

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jan 4 07:08:40 CET 2006

Junfang.Zhang at csiro.au wrote:
> Dear Gromacs users,
> Could you possibly let me know how to
> Generate different user defined potential table (table.xvg) for
> different interactions? For example, if I choose TIP4p for water and
> water interactions, but other user defined function for water-methane?

Why do you suppose this would be a reasonable physical model, given that 
they will both have been parameterized seperately to reproduce the 
properties of different systems?


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