AMBER Archive (2009)

Subject: RE: [AMBER] Duplicate residues

From: George Tzotzos (gtzotzos_at_mac.com)
Date: Mon Jan 19 2009 - 06:54:37 CST

 
Hi everybody,

This is maybe trivial but here's my question.

In cases where pdb files have duplicate residues Leap gives the following warning "Atom names in each residue should be unique. Same-name atoms are handled by using the first occurrence and by ignoring the rest".

Question: do we ignore this warning or is it better to manually remove the duplicates.

Many thanks in advance

George

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