[gmx-users] Entering ions

Justin Lemkul jalemkul at vt.edu
Mon Oct 21 15:19:47 CEST 2013

On 10/21/13 8:54 AM, Mohsen Ramezanpour wrote:
> Dear Dr. Justin
> Thank you for your reply
> You are right, I am sorry for my mistake. I meant Phosphate and Sulfate
> ions.
> I want to have these ions in my solution.

Many force fields include these ions or closely related model compounds.  Have a 
look in the .rtp entries and search the literature.



Justin A. Lemkul, Ph.D.
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


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