Date sent: Wed, 24 Mar 2004 11:37:56 -0800 (PST) From: "Karl N. Kirschner" Subject: AMBER: Glycam04 To: amber@scripps.edu Send reply to: amber@scripps.edu Hi everyone, The new version of the Glycam parameter file set for carbohydrate modeling is available on the AMBER8 distribution and at our web site (http://glycam.ccrc.uga.edu). There are two sets of parameters: one without extra points (aka electron lone pairs), and one with extra points. These files include a leaprc (leaprc.Glycam), carbohydrate prep files with ensemble average charge set (Glycam04.prep), and the parameter file (Glycam04.dat). The files associated with extra points have "EP" in the file name. At all times, our website will contain the most recent version of the Glycam parameter file set. Over time, we will be adding additional prep residues and modify the other files as the need arises. Please feel free to comment about this parameter set and make suggestions about how it may be improved in the future. Also, please comment on any bugs that you might find when using these files. As pointed out before, please read the AMBER8 manual before implementing Glycam04. Happy modeling, Karl ===== ------------------------------------------------ Karl Nicholas Kirschner, Ph.D. National Institute of Health Fellow Complex Carbohydrate Research Center University of Georgia - Athens, Ga USA ------------------------------------------------ __________________________________ Do you Yahoo!? Yahoo! Finance Tax Center - File online. File on time. http://taxes.yahoo.com/filing.html ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber@scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo@scripps.edu