[gmx-users] frequence of flexible water

[Anton Feenstra]

Nguyen Hoang Phuong wrote:
> 
> Dear All,
> 
> does anyone know the vibrational frequence of flexible water
> molecules?

Check:
K. Anton Feenstra, Berk Hess and Herman J. C. Berendsen. Improving
      Efficiency of Large Time-scale Molecular Dynamics Simulations of
      Hydrogen-rich Systems. (1999) J. Comput. Chem. 20 (8), 786-798 
http://www.chem.vu.nl/staf/feenstra/articles/jcc-20-8-789-798-(1999).pdf


-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
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