[gmx-users] Electrostatic potential

[Dallas B. Warren]

> Another thing; Is there any way to define a subset of (e.g 
> protein) atoms as an energy group so that the .edr file will 
> contain all the energy components for this subset too? 

7.3.7 of manual.

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.