[gmx-users] GROMACS and CNT/graphene (probably for the 1000th time)

[Justin Lemkul]

On 3/23/15 9:09 PM, Alex wrote:
> Great, thanks.
> One other question, just sort of jumping way ahead. Let's say I had a
> denaturated protein chain I wanted to drag in a simulation of
> translocation. Is there anything in Gromacs for that, aside from fake
> charges and external electric fields, or messing with the code itself?
>

Use the pull code.

-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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