[gmx-users] New force fields
suzen at theochem.tu-muenchen.de
Fri May 3 17:18:23 CEST 2002
Ram'on Garc'ia Fern'andez wrote:
> 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.
How many lines did you contribute to Gromacs?
> Having said that, I do not mind where is it documented. I request that
> it should be documented.
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