[gmx-users] New force fields
Mehmet Suezen
suzen at theochem.tu-muenchen.de
Fri May 3 15:02:20 CEST 2002
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.
mehmet
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