[gmx-users] Questions about water in Gromacs

[Dallas B. Warren]

Justin,

Have you simulated each of the components on their own, i.e. pure octane
or water?

That should help to start to pin down what the issue is, just take it
one part at a time.

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