[gmx-users] Microwave

[Justin Lemkul]

On 6/2/15 4:31 AM, Mostafa Javaheri wrote:
> Dear Justin,
>
> How could I simulate a membrane protein while there is microwave radiations in
> one direction e.g. in direction of z-axis? Should I change the delta-lambda

delta-lambda is a free energy option.

> or Is this accessible via electric field option? If I have to use electric
> field option, should I patch the mdrun (
> http://www.gromacs.org/Developer_Zone/Programming_Guide/Patching_mdrun)?
>

Electric fields are already supported, but I don't think this is physically what 
you want.  I have no idea how to microwave an MD simulation.

-Justin

-- 
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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
http://mackerell.umaryland.edu/~jalemkul

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