[gmx-users] electric fields

David van der Spoel spoel at xray.bmc.uu.se
Sun Feb 15 19:56:51 CET 2015


On 2015-02-15 18:35, Justin Lemkul wrote:
>
>
> On 2/15/15 12:31 PM, mah maz wrote:
>> Hi all,
>> I need to apply magnetic and also alternating electric field to my
>> system,
>> but I can't find any options. Can anyone help me?
>
> Probably because those options don't exist.  Constant electric fields
> are described in manual section 7.3.26 (conveniently entitled "Electric
> fields"). Beyond that, if it's not in the manual, it's not in GROMACS.
>
> -Justin
>
Not entirely correct. Alternating electric fields work fine. You need to 
supply both E-x and E-xt fields in the mdp file.
Magnetic fields we don't have.

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se


More information about the gromacs.org_gmx-users mailing list