[gmx-users] rtp entry

Mark Abraham Mark.Abraham at anu.edu.au
Fri Jun 22 03:07:35 CEST 2007

> 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.


More information about the gromacs.org_gmx-users mailing list