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
