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Fe3+ iron
#17355 03/06/08 08:32 AM
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Dear CHARMM users,

I'm looking for iron Fe3+ and also OH- CHARMM parameters. Does anyone can indicate me where i may search ?

Thank you in advance.

Nicolas

Re: Fe3+ iron
nfloquet #17356 03/08/08 02:27 PM
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hydroxide is available in toppar_water_ions.str. I'm not aware of parameters for Fe+3.

alex


School of Pharmacy
University of Maryland
20 Penn Street
Baltimore, MD, 21201
Re: Fe3+ iron
alex #17357 03/09/08 08:57 AM
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Long time ago, I posted parameters for Fe2+, Fe3+ etc that work well.


http://www.charmm.org/ubbthreads/showfla...h=true#Post1805

Re: Fe3+ iron
jb007 #17358 03/10/08 10:19 AM
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Thank you for these informations !

do you now if some parameters also exist for Thorium ?



Thanks for all.

Nicolas

Re: Fe3+ iron
jb007 #30910 11/15/12 04:43 PM
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Could you please provide with parameters for FE(2+) ?


Moderated by  alex, chmgr, John Legato 

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