[gmx-users] Continuing runs that stopped

Dallas B. Warren Dallas.Warren at vcp.monash.edu.au
Wed Jun 13 06:25:46 CEST 2007

See: tpbconv

How late in the simulation it can restart depends on when coordinates
and velocities were written to the .trr file.  If last time was the
start of the simulation, then that is your only option.  That is why it
is important to have vel and coords written out to the .trr file a
couple of times per simulation block, saves wasting of time if the
simulation crashes.

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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