and this did not happen with EM? Did you add new atoms/FF parameters to the existing C36 set?
On 2012-07-13 02:05:47AM -0700, Shima Arasteh wrote: > > Dear gmx users, > > > My system is composed of a protein and water. I am working with CHARMM36 and > the current version of Gromacs, 4.5.5. > For NVT equilibration , I get this error: > > "Software inconsistency error: > Some interactions seem to be assigned multiple times" > > > Through the mailing list, I just found that some bugs might be the reason of > the error, and the Gromacs version should be current. But as I said I use the > current version of Gromacs. I really don't have any idea for solving this > problem. > > Any suggestions would be appreciated. > > > Sincerely, > Shima > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Only plain text messages are allowed! > * 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 -- ================================================================== Peter C. Lai | University of Alabama-Birmingham Programmer/Analyst | KAUL 752A Genetics, Div. of Research | 705 South 20th Street p...@uab.edu | Birmingham AL 35294-4461 (205) 690-0808 | ================================================================== -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
