... and probably the use of grompp -maxwarn 5 is hiding problems that you should be fixing first!
Mark On Sun, Sep 8, 2013 at 1:03 AM, Justin Lemkul <jalem...@vt.edu> wrote: > > > On 9/7/13 6:55 PM, Rama Krishna Koppisetti wrote: >> >> Hi Justin, >> >> If you are willing to see my complex pdb file or complex .gro file and >> topology files, I'll send you for the reference. >> > > At present, I do not have the time to spare trying to work this out myself. > The manual has all the detail you need, and the format of .rtp entries is > very straightforward. > > -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 > > jalem...@outerbanks.umaryland.edu | (410) 706-7441 > > ================================================== > > -- > 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 -- 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
