[gmx-users] New force fields

Mehmet Suezen suzen at theochem.tu-muenchen.de
Fri May 3 19:27:36 CEST 2002

Ram'on Garc'ia Fern'andez wrote:
> It is probably more frequent than you think.

Actually, I have add new potentials to DLPoly, including 3-body terms
and also
to gromacs (with some help from David and Eric). It is not very
straigtforward to add a potential in to gromacs code. Not in 15
minitues, if you don't know to code well.
> You cannot get a paper published in Journal of Chemical Physics doing
> something that is straightforward. You must contribute some
> innovation. Of course, the novelty can be in the system, or in
> anything else.

Why don't you read some source, while source code is GPLed, innovation
starts there!

> Having said that, I do not mind where is it documented. I request that
> it should be documented.

that is logical. But you can not expect from developers to document
step they applied to the code. And requesting is easy.


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