[gmx-users] epsilon_surface mdp parameter
David van der Spoel
spoel at xray.bmc.uu.se
Sun Jan 27 08:58:41 CET 2002
On Sat, 26 Jan 2002, Erik Lindahl wrote:
>Yes, it is the standard dipole correction - when it is zero it is simply
>turned off.
To be more precise: zero means an *inifite* dielectric constant, which is
also known under the term conducting boundary conditions. In practice
it means there is no correction at all.
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
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