On Mon, Dec 16, 2013 at 8:09 PM, Sidath Wijesinghe <swij...@g.clemson.edu>wrote:

> Justin,
>
> Thank you for the reply. so that means i need to place the parameters in
> atomname2type.n2t file?
>
>
Yes, per the format shown on that site. I will warn you that it can be
difficult to define non-overlapping parameters for large, complex systems.
 g_x2top was designed to deal with simpler molecules.

-Justin

-- 

==========================================

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

jalem...@outerbanks.umaryland.edu | (410) 706-7441


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