[gmx-users] New force fields

Ram'on Garc'ia Fern'andez ramon at jl1.quim.ucm.es
Fri May 3 16:27:06 CEST 2002

On Fri, May 03, 2002 at 03:02:20PM +0200, Mehmet Suezen wrote:
> Ram'on Garc'ia Fern'andez wrote:
> > In addition, the procedure for adding a custom potential (that is, with
> > a different formula) should be documented (as opposed to adding a potential
> > defined by a table, that is well documented). More that two parameters
> > should be allowed.
> It'd be confusing for a normal user to have a documentation on adding a
> custom potential.
> Rather, it might be a developers manual instead. I guess, normal user
> (simulator)
> should not bother about very details of the code.

It is probably more frequent than you think.

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.

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


More information about the gromacs.org_gmx-users mailing list