[gmx-users] Measuring dihedral energy of various selections
kobi17 at gmx.de
Wed Aug 23 14:46:34 CEST 2006
Thanks a lot! Sometimes it can be sooo easy....
>> 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
> 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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