Ok Thank you. Regards Kavya
On Tue, Aug 6, 2013 at 3:02 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 8/6/13 2:35 AM, Kavyashree M wrote: > >> Dear users, >> >> >> After EM step while running NVT I gor a warning saying - >> >> Largest charge group radii for Van der Waals: 3.798, 1.293 nm >> Largest charge group radii for Coulomb: 7.565, 3.798 nm >> The sum of the two largest charge group radii (11.362685) is larger than >> rlist (1.400000) >> >> But this error was not there while EM - >> Largest charge group radii for Van der Waals: 0.039, 0.039 nm >> Largest charge group radii for Coulomb: 0.084, 0.084 nm >> Calculating fourier grid dimensions for X Y Z >> Using a fourier grid of 100x100x100, spacing 0.119 0.119 0.119 >> >> >> I was not able to check this error in mailing list as the page was >> not opening. >> >> > Everything on the Gromacs site appears to be working now. The explanation > is given on the error page. If you're not using Gromacs 4.6.3, upgrade - > there is a possibility this is a small bug that has already been fixed. > > -Justin > > -- > ==============================**==================== > > Justin A. Lemkul, Ph.D. > Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 601 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalemkul@outerbanks.umaryland.**edu <jalem...@outerbanks.umaryland.edu> | > (410) 706-7441 > > ==============================**==================== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > * Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> > -- 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
