AMBER Archive (2004)

Subject: AMBER: disulfide bonds

From: Wen Li (liw_at_wadsworth.org)
Date: Mon Jan 12 2004 - 15:56:26 CST


Dear AMBER users,

I am going to perform an MD simulation on a crystal structure which
includes several CYS residues in two connected helices. The CYS residues
in the two helices are about 3 - 3.5 angstroms away one another in the
crystal structure. Should these CYS' be considered to form disulfide
bonds? What is the proper distance cutoff for determining disulfide bonds?

I appreciate your help!

Wen

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