[gmx-users] Charmm 36 parameter file for gromacs

[Justin Lemkul]

On 8/11/15 10:01 AM, Vy Phan wrote:
> Dear Gromacs users,
>
> On the .itp file on the charmm36 force field, I see the DOPC and other
> lipid which have the [atom][bond] and [ impropers] parameter. I wonder
> where is the parameter for [dihedrals].
>

Angles and dihedrals are automatically generated from the bonded connectivity. 
Only mandatory directives are included in the .rtp entries.

-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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