[gmx-users] pdb2gmx: Adding non standard residues and molecular moieties

Mark Abraham Mark.Abraham at anu.edu.au
Wed Feb 6 12:48:44 CET 2008

Eddie Mende wrote:
> Greetings
> I am trying to generate a topology file, and
> need to add the phosphate ion in my pdb
> How to do this?

Check out http://wiki.gromacs.org/index.php/Parameterization and maybe 

Generating a sensible topology is much harder than generating a starting 


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