[gmx-users] Re: Regarding error.

[vivek sharma]

Dear Suryanarayana,

This error itself tells you that the particular residue 'DAL' is not
available in the residue topology database of the force field you are using
for your simulation. You can check that by yourself in the *.rtp file of
corresponding force field.
The way out of this situation is to build a topology file(*.top/*.itp) for
particular residue/molecule 'DAL' by yourself (you can use topology
generators like topolbuild, PRODRG server etc for the same) and include it
with your molecule topology file.

You can find more details about the error at
"
http://www.gromacs.org/Documentation/Errors#Residue_%27XXX%27_not_found_in_residue_topology_database
".

Also, put your queries in gromacs mailing list which will help other users
and increase the chances of getting better solutions.

Good luck with the simulation,
~Vivek

On 24 May 2012 11:55, Seera Suryanarayana <palusoori at gmail.com> wrote:

> Dear Vivek,
>                  While running gromacs software i am getting following
> error.
>
> Fatal error:
> Residue 'DAL' not found in residue topology database.
>
> I am new for MD and in particular using of gromacs. Kindly tell me how to
> over come error which is i mentioned above.
>
>
> Suryanarayana Seera,
> PhD student,
> Hyderabad,
> India.
>
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