[gmx-users] how to rename oxygen oxt to be recognized by MOLMOL

Mark Abraham Mark.Abraham at anu.edu.au
Mon Jun 4 09:03:53 CEST 2012

On 4/06/2012 5:00 PM, Acoot Brett wrote:
> Dear All,
> Will you please tell me how to rename the C-terminal residue atom OXT 
> so that the OXT oxygen can be recognized by MOLMOL?

You'd have to read the MOLMOL documentation. But start with "O" - making 
sure you preserve the file format correctly, probably by replacing 
deleted characters with spaces, for .gro or .pdb.

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