[gmx-users] Dihedral Restrain Syntax 4.6

[Justin Lemkul]

On 8/14/14, 6:54 AM, Johnny Lu wrote:
> Hi.
>
> Is the following syntax in .mdp file correct?
> ;ai, aj, ak, al, Type, index, Type', low, up1, up2, fac
>
> I guessed it from the description of distance restraint in the gromacs
> 4.6.6 manual.
>

No need to guess; that's exactly what's stated in manual section 4.3.4.

-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 601
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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