Thanks for you suggestion Peter. I'll check it out.
Regards, Shima ----- Original Message ----- From: Peter C. Lai <p...@uab.edu> To: gmx-users@gromacs.org Cc: Sent: Friday, July 20, 2012 9:58 PM Subject: Re: [gmx-users] Some interactions seem to be assigned multiple times Did the RTP file include new atoms/interactions (angles, dihedrals)? If not then I don't know. If it did, then you should check to make sure you don't have the same interactions defined in the .itp files. On 2012-07-20 09:02:56AM -0700, Shima Arasteh wrote: > > > May this error happen because of the incorrect value of a new-defined > residue in .rtp file? > > > > Sincerely, > Shima > > > ----- Original Message ----- > From: Peter C. Lai <p...@uab.edu> > To: gmx-users@gromacs.org > Cc: > Sent: Wednesday, July 18, 2012 9:00 AM > Subject: Re: [gmx-users] Some interactions seem to be assigned multiple times > > 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 > > -- > 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 -- 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
