[gmx-users] SO3- force field parameter?

Dallas Warren dallas.warren at vcp.monash.edu.au
Sun Feb 9 21:52:34 CET 2003


>Does anyone have experince with SO3-
>and can point me to reasonable parameter.

I couldn't find any parameters for SO3- so I generated some "reasonable" 
ones myself (for the ffgmx and ff43a2x(?)).  They are based on similarity 
to CO2-/PO4)2- and partial charges from an S2O6 molecule.

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 9076
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