--- On Wed, 30/5/12, patrick wintrode <pat_w...@yahoo.com> wrote: > After creating a box using editconf and then solvating using genbox, I try > to add ions and get the infamous "number of coordinates in .gro does not > match number of coordinates in topology" error.
I've had this problem after solvating a PDB that already contained waters. The genbox command reported that N waters should be added, but since there were already n waters in the PDB, it added only N-n waters to the topology, while it should have added the whole lot of N molecules. Changing the number in the .top file solved this. -- 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
