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parameter for Manganese
#1261 04/14/04 10:49 PM
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lgh Offline OP
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Hi,
Do you have CHARMM parameter for Manganese? Could you send it to me?

thanks!!!

Re: parameter for Manganese
lgh #1262 04/28/04 10:14 PM
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Sorry, we don't have any such parameters. Determine them yourself. Assign
a formal charge of +2 and then adjust the LJ parameters to give the experimental
free energy of solvation. Papers by Benoit Roux should be helpful.

alex


School of Pharmacy
University of Maryland
20 Penn Street
Baltimore, MD, 21201

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