Hi to all Amber user,
I have a question about the naming of aspartate and glutamate in PDB. Please correct me if I wrong.
Aspartate and Glutamate are recognized in their deprotonated form by default in XLeap (ASP and GLU). If I want to simulate the protein in pH 7, should I change the name of all aspartate and glutamate residues that has low pKa value at pH 7 as ASH and GLH?
Thanks so much in advance
Zalikha Ibrahim
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Received on Mon Aug 06 2012 - 18:30:03 PDT
