[gmx-users] electric fields

Justin Lemkul jalemkul at vt.edu
Sun Feb 15 19:59:40 CET 2015

On 2/15/15 1:56 PM, David van der Spoel wrote:
> 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.

Then perhaps it's time to update the documentation for E-[xyz]t to something 
other than "not implemented yet" :)


> Magnetic fields we don't have.


Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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