Dear GROMACS users: This is self-reply to resolve the following error I'd met.
> Then I believe the error > > "Fatal error: > > Cannot find length for atoms 1-3 involved in angle". > occurs with some side-effects from the implicit solvent setting. I'd found that the topology stuff should be more strictly written with implicit_solvent=GBSA than that with implicit_solvent=no. For simple example, all-atom CH4 molecule has five atoms and four bonds and six angles. If I only have five angles by mistake, it is tolerant with implicit_solvent=no but result in the error above with implicit_solvent=GBSA. It means you should check the number of angles, if you've got the error when you change implicit_solvent=no to implicit_solvent=GBSA. Hope it helps. Regards, Makoto Yoneya, Dr. http://staff.aist.go.jp/makoto-yoneya/ -- 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
