You cannot mix the .gro and .pdb formats within the same file. One approach is to direct the GROMACS tool to write the output in pdb format simply by naming the output file with a .pdb suffix. Then you can do such a pasting operation, and if you've preserved the format correctly, proceed to use the resulting file in future GROMACS stages.
Mark On Tue, Sep 10, 2013 at 11:10 AM, MUSYOKA THOMMAS <mutemibiochemis...@gmail.com> wrote: > Dear Users, > I am using the ATB web server to build topologies of my ligands. > I have tried to include the ligand UNITED ATOM STRUCTURE (generated by the > ATB) into my protein gro file generated by GROMACS by copying the > information in the lines starting with HETAM to the end of my protein gro > file and updating the number of molecules at the beginning of the file so > as to reflect the change. > > However, i am getting an error when i run the editconf command = Fatal > error: Something is wrong in the coordinate formatting of file > ../2oul_processed.gro. Note that gro is fixed format. > > My ligand link is = > http://compbio.biosci.uq.edu.au/atb/download.py?session=14360 > > Can anyone tell me how to solve this. > > Thank you > -- > 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 -- 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
