[gmx-users] empty energy file

Dallas B. Warren Dallas.Warren at vcp.monash.edu.au
Thu Jul 6 00:22:19 CEST 2006


Fact that no output to the energy file is probably due to the fact that
the data is cached in memory until there is sufficient amount of data to
be written to the file.  Since the simulation crashed and the file is
empty, appears that the threshold to write some data to the file was not

If you want to see what the energy is doing up until the crash (if it is
repeatable), then just tell it to write the energy out much more often.

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 9524
When the only tool you own is a hammer, every problem begins to resemble
a nail.

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