[gmx-users] Export trajectory file every 20ps of 100ps run

Dallas B. Warren Dallas.Warren at vcp.monash.edu.au
Mon Jun 20 03:19:06 CEST 2005

Is your trajectory file saves at a .xtc file?  That is about 1/3rd of
the size of the .trr format.

Do you need the trajectory information saved as often?  There are
settings in the .mdp file that can increase the interval between saving
the system information.

Another option is just run for 25 ps, simulations tops, move the files
around as needed, then extend the simulation for another 25 ps using

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 9073
When the only tool you own is a hammer, every problem begins to resemble
a nail.

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