[gmx-users] extract output files

Dallas Warren dallas.warren at vcp.monash.edu.au
Tue Mar 1 01:13:01 CET 2005

>           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 nail.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20050301/9c6b6b13/attachment.html>

More information about the gromacs.org_gmx-users mailing list