The system I'm trying to simulate contains both glycans and protein. None of the supplied leaprc files manage to do both. [OK, I didn't try them all, but I did try the ones that seemed obviously named to me]. So I tried to create my own, by combining leaprc.glycam04 and leaprc.ff99SB. That doesn't work either - it loads the protein file, but not the glycam04 file.
I've seen messages in the archives that indicate others have solved this problem, but not how.
When I search for "glycoprotein" in the manual, there's nothing.
Thanks for you help!
Irene Newhouse.
_________________________________________________________________
Invite your mail contacts to join your friends list with Windows Live Spaces. It's easy!
http://spaces.live.com/spacesapi.aspx?wx_action=create&wx_url=/friends.aspx&mkt=en-us
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Sep 02 2007 - 06:07:36 PDT
