[gmx-users] extract output files

[David]

On Tue, 2005-03-01 at 13:36 -0600, Dinesh Pinisetty wrote:
> 
> 
> 
> Hello,
>          I need the .gro file only for the last frame i.e 12ns. Will
> trjconv -f traj.xtc -b 11999 -e 12000 -o conf.gro work out.
> Thank you.
> 
try it, or type

trjconv -h 

> 
> From:gmx-users-bounces at gromacs.org on 03/01/2005 11:13 AM ZE11
> 
> 
> Sent by: gmx-users-bounces at gromacs.org
> 
> Please respond to Discussion list for GROMACS users <gmx-users at gromacs.org>
> 
> 
> 
> To:   Discussion list for GROMACS users <gmx-users at gromacs.org>
> cc:   (bcc: Dinesh Pinisetty/dpinis1/LSU)
> 
> Subject:    Re: [gmx-users] extract output files
> 
> 
> 
>           I have run an MD simulation for 20ns.Now I want to get .gro
> file,.trr file,.edr file and .tpr file for 12ns mdrun only,Is it possible
> to extract from 20ns output files,if so how?
> trjconv -sep
> trjconv -b -e
> eneconv -b -e or g_energy -b -e
> Depends what you want to do with the tpr, but I think for most things it
> doesn't matter too much which time that tpr comes from as it is generally
> used to provide topology information (could be scripts that need/use
> something else).
> 
> Catch ya,
> 
> Dr. Dallas Warren
> Lecturer
> Department of Pharmaceutical Biology and Pharmacology
> Victorian College of Pharmacy, Monash University
> 381 Royal Parade, Parkville VIC 3010
> dallas.warren at vcp.monash.edu.au
> +61 3 9903 9083
> --------------------------------------------------------------------------
> When the only tool you own is a hammer, every problem begins to resemble a
> nail.
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. 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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