[gmx-users] problem while entering a new residue in ffgmx.rtp file

Marc F. Lensink lensink at scmbb.ulb.ac.be
Thu Aug 18 11:51:27 CEST 2005

On Thu, Aug 18, 2005 at 03:09:04PM +0530, Rahul Karyappa wrote:
> Dear all,
>    I have a polyethylene.pdb file for 10 repeat units of
> polyethylene. I want to define atoms and bonds for residue PE in the
> ffgmx.rtp file. When I enter all the atoms as it is in the .pdb file
> and define the bonds, I am able to run pdb2gmx.  But  if I
> want to run pdb2gmx on higher no. of repeat units then
> it will be time-consuming to define each atom and bond. Can I add atoms
> and bonds for one repeat unit

you have to define 3 'residues' in the .rtp file:
* head
* section (the repeating unit)
* tail


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