[gmx-users] Entering ions
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
> 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.
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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