[gmx-developers] Re: gmx-developers Digest, Vol 31, Issue 8

Qiao Baofu qiaobf at gmail.com
Thu Nov 16 09:44:45 CET 2006

To David,

The other liquids have dielectric constant 10-20. Because they are  not
quite different, similar data are expected , the same order of magnitude at

To Axel,

In P. 18/19/21 of your .ppt file, epsilon(0) is used. Is it the same as the
relative permittivity?  To my knowledge relative permittivity is generally
represent as epsilon(r)? And did you do these MD simulaions in Gromacs, or
run the MD in gromacs, then write a program to calculate the dielectric
constant by yourself?

2006/11/15, gmx-developers-request at gromacs.org <
gmx-developers-request at gromacs.org>:
> Today's Topics:
>    1. calculating dielectric constant (Qiao Baofu)
>    2. Re: calculating dielectric constant (David van der Spoel)
>    3. Re: calculating dielectric constant (Axel Kohlmeyer)
>    4. Re: calculating dielectric constant (Berk Hess)
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