[gmx-users] alkane-aqueous interfacial simulations

[Xavier Periole]

Hello,

>
> >Yes, the solubility of C6 will be larger than C8 and C10. However, do 
> not expect very good quantitative results. Check a recent paper by 
> Villa & Mark about solubility of amino acids in hexan and water.
>
David probably refered to this article:

A biomolecular force field based on the free enthalpy of hydration and 
solvation:
The GROMOS force-field parameter sets 53A5 and 53A6
Author(s): Oostenbrink C, Villa A, Mark AE, Van Gunsteren WF
JOURNAL OF COMPUTATIONAL CHEMISTRY 25 (13): 1656-1676 OCT 2004

XAvier

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 Xavier Periole - Ph.D.

 Dept. of Biophysical Chemistry / MD Group   
 Univ. of Groningen
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 The Netherlands
 
 Tel: +31-503634329
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 email: x.periole at rug.nl
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