[gmx-users] rtp entry

ASHWINI JAYAPRAKASH ashjay012 at yahoo.com
Tue Jun 26 21:16:53 CEST 2007

Hi Mark,
  I have used pdb2gmx to create the topology file with the option of -missing,also I have deleted the HEATOM that were there in the pdb file. Will these be a problem later?
  Now when I run grompp I am getting the error 
  "Atomtype 'opls_135' not found!" .............
  Any suggestions highly appreciated..
  Mark Abraham <Mark.Abraham at anu.edu.au> 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.

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