[gmx-users] rtp entry
Mark Abraham
Mark.Abraham at anu.edu.au
Fri Jun 22 03:07:35 CEST 2007
ASHWINI JAYAPRAKASH wrote:
> Hi Mark,
>
> I have changed the atom name in the co-ordinate file. Now I get an error
> saying :
> Residue "pop" not found in residue database
>
> My co-ordinate file consists of protein, popc and sol. Do I have to add
> the itp files of popc and sol to the rtp file.
Only if you want pdb2gmx to recognise these types of residues. See
http://wiki.gromacs.org/index.php/topology_file or chapter 5.
Mark
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