[gmx-users] Assigning charges to Proline residues

Dan Woodall danwoodall4 at gmail.com
Tue Aug 30 17:28:04 CEST 2016


I'm looking to define the charges on a 10 residue polypeptide using
pdb2gmx. I want to have the N-terminus charged, and a proline at position 6
charged, but I can only find ways to assign charges to the amino acids that
typically carry charges. Is there a way I can force the program to
recognize a +1 charge (protonated) on a proline?


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