[gmx-users] Buckingham model for liquid of water

Eudes Fileti fileti at iq.usp.br
Thu Sep 7 23:18:25 CEST 2006


Dear gmx-ers
I have attemped to use the potential of Buckingham
to simulate the water liquid. However I did not find
papers that present the parameters of the potential.
Actually I found a paper that mixed parameters LJ (O...O)
and Buckingham (O-H, O-O and H...O).
Can anyone let me know if there is a optmized set parameters
for the water with this potential ?
Thanks
eef

-- 
______________________________________
                                      Eudes Eterno Fileti
          Centro de Ciência Naturais e Humanas
                        Universidade Federal do ABC
                                  Rua Santa Adélia, 166
                                            CEP 09210-170
                                               skype: eefileti
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