[gmx-users] extract output files

Dinesh Pinisetty dpinis1 at lsu.edu
Tue Mar 1 20:36:25 CET 2005

         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.

From:gmx-users-bounces at gromacs.org on 03/01/2005 11:13 AM ZE11

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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
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
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