[gmx-users] Parameters file for CHARMM 27 Force Field

[Justin Lemkul]

On 6/24/16 6:59 AM, Anurag Dobhal wrote:
> Dear Gromacs users,
>
> I am writing CHARMM27 parameters for a new molecule. Where can I get a
> parameter file for the CHARMM27 ? where all parameters for all the atoms
> are available
>
> similar file for OPLS/AA force filed can be found in below link.
>
> https://drive.google.com/open?id=0B011-Vz79yKJWFgwYVN3cUJHSUE
>
>

GROMACS provides the force field in 
/path/to/your/gromacs/share/gromacs/top/charmm27.ff

or, of course, the definitive source of all CHARMM parameters:

http://mackerell.umaryland.edu/charmm_ff.shtml

-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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