[gmx-users] double bonds

[Dallas Warren]

>is there a way to define whether a bond is simple, double .. ?
>and if not , is it necessary?

Yes, since the bond length, bond constant, angles and dihedrals set around 
that bond depend on what type of bond it is.

Catch ya,

Dr. Dallas Warren
Research Fellow
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 9083
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