[gmx-users] gromacs: pdb2gmx error

Mark Abraham Mark.Abraham at anu.edu.au
Sat Feb 25 14:48:10 CET 2012

On 25/02/2012 6:30 PM, venkatesh s wrote:
> Hi
>       i got that error in the step of pdb2gmx what can i do
> i read also 
> http://www.gromacs.org/Documentation/Errors#Residue_%27XXX%27_not_found_in_residue_topology_database
> can any one tell exact reason and how i handle further

The exact reason is on that link. You will need to read it and think 
about what it means. If it doesn't mean anything, then you need to learn 
some more in chapter 5 of the manual (and/or the links in that web page 
section) about how things work.


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