[gmx-users] two chains

Dallas B. Warren Dallas.Warren at vcp.monash.edu.au
Thu Mar 29 23:54:07 CEST 2007


>4.      grompp_mpi -v -f 1ppbfree-en.mdp -c 1ppbfree-gen.gro -o
1ppbfree-en.tpr -p 1ppbfree.top

1ppbfree-en.mdp is the file in which the PBC is specified or not.  So
from that time on, when you run the simulation, what ever you set in
terms of the PBC within that file are applied.

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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