[gmx-users] Bug #554: pdb2gmx proton naming compliancy

Kibalchenko, Mikhail MKibalchenko at mednet.ucla.edu
Tue Dec 3 23:33:15 CET 2013

Dear Users,

does anyone know what was the resolution of this bug?

How does one handle pdb2gmx with PDB files and avoid errors like this?

Atom HB3 in residue ASP 2 was not found in rtp entry ASP with 14 atoms
while sorting atoms.



Mikhail Kibalchenko, PhD
mkibalchenko at mednet.ucla.edu<mailto:mkibalchenko at mednet.ucla.edu>
Postdoctoral Scholar, Neurology
David Geffen School of Medicine at UCLA


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