AMBER Archive (2006)

Subject: AMBER: problem in calculating EGB using sander for ligand containing F atom

From: VANDANA KUMARI (kumari.5_at_osu.edu)
Date: Wed Nov 08 2006 - 21:36:52 CST

Dear all,
I am calculating EGB of my ligands using sander. I have
done it successfully for some of my ligands but I am having problem with
ligands containing F atom. whenever I am running sander message is
comming "bad atom name F". I also tried to add library in
ions94.cmd and ions94.lib. but still my problem persists. same error
message is comming. What should i try for running sander for ligands
containing flourine atom?

Thanks
-- Vandana Kumari,

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