[gmx-users] Electric field

David van der Spoel spoel at xray.bmc.uu.se
Fri Aug 6 10:49:58 CEST 2004

On Thu, 5 Aug 2004, Shrivastava, Indira (NIH/NCI) wrote:

>I am doing simulations of a protein-in-membrane system, (with solvent), in
>which an electric field is applied across the membrane bilayer.  I use the
>value of E_z = 1.0E-09 nm-1 and E-z = -1.E-09 nm-1. Can someone let me know
>if  these values are reasonable?? How can I check to see the electric field
>in the simulations with opposite E_z values?? 
Typical potentials are on the order of 1 V/nm, or 1e9 V/m, which is the 
unit in the mdp file. You may want to turn on center of mass motion 
removal for groups if you play with voltages.


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://xray.bmc.uu.se/~spoel

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