[gmx-users] Parameterizing a force field

[Dallas B. Warren]

Not sure if this is what you want, but the -j and -jo switches with
mdrun allow you to run a simulation and vary some of the parameters for
forcefield parameterisation.

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.