Graphical model builder for CP2K.

[obo]

I have tested your program.
There are only a small variety of options for cp2k. But when I edit
the cp2k Input File, it works correct.
My biggest problem is to determine Force Field parameters from these
data. When I click on "build ff parameters" it happens nothing.
The program only change the last*** files in the force field folder.
Can you help me??
thanks
Oliver

www.matcalc.de

On 27 Jul., 16:07, agilemolecule <agilem... at gmail.com> wrote:
> I shall be very grateful for comments and suggestions.