Dear Gary,
> I am trying to find parameters for the sulfate ion in Amber. I have only
> found the parameter set of Huige & Altona (1995) for this ion, however, only
> the bond and angle parameters are stated.
Yes, you are right; these are the parameters used for this ion.
> I am not sure what nonbonded
> parameters they use. Would it be okay to use
>
> OS 1.6837 0.1700 OPLS ether
> S 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
Yes
> from parm99? Alternatively, is anybody aware of any other sulfate ion
> parameter sets?
I do not think so.
regards, Francois
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Received on Wed May 20 2009 - 12:20:09 PDT
