[gmx-users] Re: Re: Polyglycine PDB file.

[C Johnson]

> If you simple replace HETATM with ATOM, i.e.:
> 
> :1,$s/HETATM/ATOM/
> 
> you shift all columns left by two characters.  This is probably why, instead of 
> reading GLY, pdb2gmx is reading Y only.  The proper replacement would be:
> 
> :1,$s/HETATM/ATOM  /
> 
> Note the two trailing spaces after ATOM.
> 
> -Justin

Justin, adding the two spaces did the job.  Thanks
 		 	   		  
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