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?
More information about the gromacs.org_gmx-users