[gmx-users] Conversion codes

Erik Lindahl lindahl at sbc.su.se
Fri Sep 30 09:33:44 CEST 2005

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.



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
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the www  
> interface or send it to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list