[gmx-users] potassium ion in GROMOS

[Justin Lemkul]

On 9/30/14 8:32 AM, h.alizadeh at znu.ac.ir wrote:
> Dear users,
> How can we define potassium ion in GROMOS ions.itp file?

Exactly like the other ions.  If there are suitable K parameters, define the 
[moleculetype] and add the nonbonded parameters for the new atom type in 
ffnonbonded.itp.

-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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