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

From: VANDANA KUMARI <kumari.5.osu.edu>
Date: Wed, 08 Nov 2006 22:36:52 -0500

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,


-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Nov 12 2006 - 06:07:16 PST
Custom Search