[CP2K:1308] gmx2gromos

Laino Teodoro teodor... at gmail.com
Wed Aug 27 15:47:49 UTC 2008


Ciao Ewald,

gmx2gromos is not part of the cp2k distribution. Have no idea how those
files where created (maybe one of the guy that did it will reply here  
with
more informations). Anyway since you want to use GROMOS FF calculations
if you already have them you should not need any additional file or  
conversion.
If you don't have them please refer to the GROMOS website..
or to the GROMACS website (maybe there you will find also information  
how
to convert the two formats one in the other).

Teo

On 27 Aug 2008, at 17:36, Ewald Pauwels wrote:

> I get the feeling that these files were somehow converted from gromacs
> format. Is this program (or another conversion utility) available
> somewhere? Or, alternatively, is it described how the G96 topology and
> connectivity should be structured?

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