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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Received on Wed May 20 2009 - 12:18:07 PDT
