[gmx-users] VMD and trajectory files

Dallas Warren dallas.warren at vcp.monash.edu.au
Fri Nov 21 01:44:00 CET 2003


Derrick,

>so, would anyone be able to inform me of how i could set it up such that
>my trajectory file prints out the velocities and coordinates of my system
>about 100 times or so? it'd be appreciated. thanks.

Use trajconv.  For the output format use .xtc, it is a lot smaller than 
.trr.  And use either -skip or -dt switches to limit how many frames are 
outputed.

Catch ya,

Dr. Dallas Warren
Research Fellow
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.




More information about the gromacs.org_gmx-users mailing list