[gmx-users] add Mn in itp file

Justin Lemkul jalemkul at vt.edu
Wed Oct 22 16:13:31 CEST 2014

On 10/22/14 5:09 AM, yaser wrote:
> hi
> i tried add Mn in .itp file but its need some information such as sigma and epsilon and i search for find this but i cant find this parameters .anyone knows any things about how can i add Mn in .itp file and if you know any tutorials articles about add ions .

Parameters compatible with the AMBER force fields (and the associated reference) 
can be found at http://www.pharmacy.manchester.ac.uk/bryce/amber.



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


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