> 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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