[gmx-users] Re: Polyglycine PDB file.
helstreak at hotmail.com
Mon Sep 13 00:06:16 CEST 2010
> I guess your pdb file has been damaged by a text editor (Word?). PDB
> files are fixed format, you can not add or remove spaces at will. You
> could try clicking together a peptide in Pymol or so, or drop the prodrg
> output in Notepad (if you're on Windows). On mac or linux it should be
> straightforward with text editors.
I copied the PRODRG PDB into vim, changed HETATM to ATOM and DRG to GLY and renumbered the residues. I really don't understand what I could have done wrong. Can you get the file to convert with pdb2gmx?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users