[gmx-users] Conversion codes

[Erik Lindahl]

Hi Gia,

I'm not quite sure what you're after - vec.h contains all the stuff  
you need for distances/angles/torsions, or did you think of some sort  
of matrix representation of _all_ interatomic pair distances? One  
problem is of course that such a matrix would over-determine the system.

Cheers,

Erik

On Sep 30, 2005, at 8:51 AM, gia at chem.unr.edu wrote:

> Hi,
>
> I was wondering if anyone knows the conversion codes, which  
> converts cartesian
> coordinates to interatomic (not internal) distances. I know this  
> question is
> not related directly to Gromacs, but I would appreciate any answer  
> on this
> question.
>
> Thanks in advance,
>
> Gia
>
>
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