Dear Mark: Thank you for your comment.
> You don't say what your force field is, but those symptoms are > suggestive of a problem with CHARMM force field lacking Urey-Bradley > interaction parameters for atoms 1-2-3. If so, this is not a GB problem > per se. > > Mark Sorry for the lack of info. The force field was general AMBER and the topology file was basically generated using the utility ACPYPE. And as I wrote, > I'd convinced the normal run with vacuo with simply high epsilon_r > setting. The corresponding runs with "implicit_solvent = NO" result in no errors. 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. Also I found the same error reports on the gmx-user archive (although no info. For solve it). It suggest the error would be a general one. Thanks anyway. Regards. -- 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
