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

[Kibalchenko, Mikhail]

Dear Users,

does anyone know what was the resolution of this bug?
http://redmine.gromacs.org/issues/554

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.

Thanks

Mikhail






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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