[gmx-users] geometric center

[David van der Spoel]

On Tue, 2003-09-02 at 16:26, Dastmalchi wrote:
> Dear All,
>  
> How can I calculate the geometric center for part of a protein
> structure. I have crated index.ndx file for the interested residues,
> but don't know what is the command to calculate the geometric center
> for these residues.
>  
> Many thanks for your help in advance.
use editconf -center 0 0 0 -n

>  
> Cheers, Siavoush
-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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