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#973 - 02/23/04 04:14 PM Missing parameters for aromatic fluorine
simwang Offline
Forum Member

Registered: 02/23/04
Posts: 2
There are FN1 and FNA atom types in top27. However, only nonbonded parameters are available for these two and related CNA2, CNA and HNP. I was wondering if some internal parameters are also available, especially for FNA?

#974 - 03/04/04 11:59 AM Re: Missing parameters for aromatic fluorine [Re: simwang]
alex Offline

Forum Member

Registered: 10/04/03
Posts: 780
Hello, go to the followign web page and downloadthe the toppar stream file that contains
parameters for aromatic fluorine as well as a variety of other pyridines. note
that this file should be streamed after reading the standard protein topology
and parameter files (this is a new file so there may be missing atom
types etc., but following correction of the errors everything you need
should be there). alex
School of Pharmacy
University of Maryland
20 Penn Street
Baltimore, MD, 21201


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