[gmx-users] Flat-bottom potentials

[Justin Lemkul]

On 4/1/14, 10:37 PM, Andres Ortega Guerrero wrote:
> thanks Justin,
>   in the Manual-5.0 i dont see the tool, i am assuming that the .itp file , is generated by a tool similar as
> genrestr as in older version??
>

There's no separate too; it's just a different function type of the normal 
[position_restraints] directive.  It's in the manual (5.0-beta2 is what I'm 
looking at), section 4.3.2.  Topology specifications are listed with the others 
in Table 5.5.

-Justin

-- 
==================================================

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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