[AMBER] xleap_the hydrogen atom in C-terminus of peptides

From: Nan Li <nli4.ncsu.edu>
Date: Wed, 6 Mar 2013 14:02:14 -0500

Dear all,
I used xleap to add hydrogens to peptides (the peptide was loaded as
pdb file without hydrogens) automatically. For the -COOH groups in the
c-terminal, the Hydrogen is not added (the peptide ends with -COO). Is
there any reason for xleap not to add hydrogen atom to -COO?
Also, I checked the charge that is zero. Thanks a lot.

Nan

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Received on Wed Mar 06 2013 - 11:30:03 PST
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