AMBER Archive (2009)

Subject: [AMBER] Amber Sulfate Ion Parameters

From: Gary Clark (gni.clark_at_gmail.com)
Date: Wed Apr 22 2009 - 17:31:00 CDT

Hi,
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. 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

from parm99? Alternatively, is anybody aware of any other sulfate ion
parameter sets?

Any help would be much appreciated.

Thanks,

Gary
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