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 <paluso...@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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