[gmx-users] Program trjconv question

[David van der Spoel]

On Thu, 2003-10-16 at 10:58, PeiQuan Chen wrote:
> Dear gmx-users,
> 
> In the manual of Gromacs, It show that it is possible to select part of your trajectory and write it out 
> to a new trajectory file, e.g. for leaving out the water from a trajectory of a protein in water.
>   
> I have done a MD of a protein in water, and I want to make a new trajectory files, which It only contains
> the trajectory of the protein. So I think the trjconv program can help me, but I failed.
>  
> The command line I used to extract the trajectory of protein is following:
> 
> trjconv -f traj.trr -o newtraj.trr -b 0 -e 1000
> 
> But this command only make a trajectory file that contains both protein and waters trajectory.
> 
> Could anybody tell me help to resolve this problem?
> 
use an index file
> Thank you in advance!  
> 
> 
> Sincerely yours
> ---- 
> PeiQuan Chen
> ________________________________________________________________________
> PeiQuan Chen 	Department of Chemistry, Nankai University
> WeiJin Road 94, TianJin, 300071, P.R.China
> phone:	(86)2223506728		Mobile Phone: (+86)13920675030
> gromacs at 163.com	
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> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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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