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

[Justin A. Lemkul]

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.

-Justin

> 
> 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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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