Are you crosslinking the chromophore to an atom in residue 51? Can you generate a correct topology without the chromophore as a check?
On 2012-01-19 11:50:37AM +0900, bharat gupta wrote: > Hi, > > I have been trying to attach the chromophore of GFP in charmm ff parameter > files. The parameters have been obtained from a published article. After > making the changes as per the documentation ( > http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field) > , I am getting following error :- > > Atom CG is used in an interaction of type atom in the topology > database, but an atom of that name was not found in residue > number 51 > > The chromophore residue number is 66, I don't understand why there is an > error for residue 51 . Please help me in rectifying this error .. > > Regards > > -- > Bharat > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists -- ================================================================== Peter C. Lai | University of Alabama-Birmingham Programmer/Analyst | KAUL 752A Genetics, Div. of Research | 705 South 20th Street p...@uab.edu | Birmingham AL 35294-4461 (205) 690-0808 | ================================================================== -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
