[gmx-users] Extracting coordinates from a trajectory!

[David van der Spoel]

On Thu, 14 Feb 2002, Anton Feenstra wrote:

>Peter Fojan wrote:
>> 
>> Dear all,
>> does anybody know of a way how to extract the coordinates of  one group
>> or atom from a protein side chain from a trajectory file. I want to
>> follow this group through a trajectory. Thanks for your help,
>
>Try g_traj. 
>Else, try trjconv and extract the coordinates from .gro or .pdb
>output...
And of course you need an index file with the atom numbers

>

-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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