[gmx-users] Measuring dihedral energy of various selections

[Dallas B. Warren]

> may I ask how do you get the potential energies from a 
> simulation? Is it possible to get continuous energy-time 
> graph for a system?

Use the script g_energy on the .edr file from the simulation.

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.