AMBER: Question on makeing up of missing atoms

From: Benjamin Juhl <>
Date: Fri, 09 Dec 2005 13:30:57 +0100


lately i am loading pdb files with lea. In these pdb files, some side
chains are missing (only the 4 backbone atoms are in the file). Leap is
completeing the missing atoms, but i couldn't find any information in
the manual in what way those atoms are added exactly. Is a energeticaly
beneficial conformation chosen or are the atoms simply added from a
fixed template?

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Fri Dec 09 2005 - 12:53:01 PST
Custom Search