AMBER Archive (2005)

Subject: AMBER: Question on makeing up of missing atoms

From: Benjamin Juhl (itbbju_at_itb.uni-stuttgart.de)
Date: Fri Dec 09 2005 - 06:30:57 CST


Hi,

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?

Benjamin
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