[gmx-users] Extended run from single to multy processor

[Dallas B. Warren]

Anthony,

I think you will need to rerun something like this, where 22ns.mdp
specifies the time frame for another 22ns of simulation time.

grompp -np 6 -f 22ns.mdp -c 5ns.gro -t 5ns.trr -e 5ns.edr -p topol.top
-o 5-28ns.tpr

Catch ya,

Dr. Dallas Warren
Lecturer
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
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When the only tool you own is a hammer, every problem begins to resemble
a nail.