[gmx-users] Atom not found in residue while adding hydrogens

Justin A. Lemkul jalemkul at vt.edu
Wed Jul 16 18:29:27 CEST 2008

Travis Craddock wrote:
> Hi All,
> I modified an existing pdb file by adding a missing residue with coordinates
> obtained from another pdb file of lower resolution.  I ran pdb2gmx and
> received the following fatal error:
> Atom CA not found in residue MET1 while adding hydrogens
> Can someone please explain this error to me?

Maybe...If you provide your pdb2gmx command line, which force field you're 
using, and which Gromacs version you're using.


> Thanks,
> Travis
> Travis Craddock
> Department of Physics         
> University of Alberta
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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