[gmx-users] TFE-water simulations

[Anton Feenstra]

David wrote:
> On Tue, 2003-04-29 at 20:55, Attila Borics wrote:
> 
[..]
>>I used the isothermal compressibility of water (4.5e-5) however this
>>value for TFE is 1.22e-4. Since it was used in Fiorini's other paper
[..]
> 
> You haven't specified tau_p . I t should be >= 1 ps.

And then you should take the 10-fold or so difference in compressibility
into account as well.


-- 
Groetjes,

Anton
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|  _   _  ___,| K. Anton Feenstra                                     |
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