AMBER Archive (2005)

Subject: AMBER: unnatural ligand

From: Eric Hu (yhu_2003_at_yahoo.com)
Date: Thu Feb 03 2005 - 21:37:41 CST

Hi, I made frcmod and lib files for an unnatural
residue called LIG(covalently bonded with lys). leap
can write the top and crd sucessfully showing that LIG
joins with two neighbouring a.a. There is a "Ter"
between the C-terminal of the unnatural residue and
the next a.a. in the new pdb file althouth the
N-terminal of this a.a. only has one hydrogen. Why is
this? Thanks.

Eric

                
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