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

C Johnson helstreak at hotmail.com
Mon Sep 13 00:31:14 CEST 2010

> 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100912/d25c3bcf/attachment.html>

More information about the gromacs.org_gmx-users mailing list