CHARMM Development Project
Posted By: simwang Missing parameters for aromatic fluorine - 02/23/04 09:14 PM
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?
Posted By: alex Re: Missing parameters for aromatic fluorine - 03/04/04 04:59 PM
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

http://www.pharmacy.umaryland.edu/faculty/amackere/force_fields.htm
toppar_all22_prot_pyridines.str
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