[gmx-users] phosphate ion charge!!!

nanyu101 at sina.com nanyu101 at sina.com
Sun Apr 4 05:24:01 CEST 2004

Dear gmx-users,

  Thanks for your answering me the charges about phospphate ion. I do know we can't get an accurate charge value. But I am afraind that the small deviation of charge will cause a much larger deviation in a polyphosphate ion, such as 32-residues or 64-residues. If I use PME model to calculate the long-range coulomb interaction, I think this kind of deviation will become even larger. 

Best wishes,
XIanhui Wu

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