[gmx-users] epsilon in mdp

[David van der Spoel]

Vitaly Chaban wrote:
> Dear gromacs users,
> 
> In the gromacs example mdp-file for water (/tutor/water) one can find
> "
> ; Dielectric constant (DC) for cut-off or DC of reaction field
> epsilon-r = 1
> "
> 
> Does it mean that the simulation will be hold as if DC of H2O were
> equal to the DC of vacuum? Does one need to correct it to the
> corresponding experimental value for water to obtain a real system?
> 


this is outdated. sorry about that. check onlin documentation.

> Thanks,
> Vitaly
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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