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this is outdated.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
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