[gmx-users] Extracting coordinates from a trajectory!

David van der Spoel spoel at xray.bmc.uu.se
Thu Feb 14 12:37:13 CET 2002

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
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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