[gmx-users] electric field

David van der Spoel spoel at xray.bmc.uu.se
Fri Sep 5 15:59:52 CEST 2008

daniel luis wrote:
> Hello.
> i would like to know, how is the total energy whe the external electric 
> field is
> implemented in GMX, the field only interact with point charges?
The field interacts with point charges according to F = q E.

The field exerts work on the system and hence energy is not conserved 
when there is a field.
See Angew. Chem. Intl. Ed. 47 pp. 1417-1420 (2008)
> thanks for your help
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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