Thanks Justin problem solved. Cheers James On Sat, May 16, 2015 at 9:21 AM, Justin Lemkul <jalem...@vt.edu> wrote:
> > > On 5/15/15 4:53 PM, James Lord wrote: > >> Hi Justin, >> Thanks for your email. I have modified it and the topology looks fine to >> me or >> at least I can't see any problem with it but still genion does not like >> it? >> Would please have a look? >> >> https://drive.google.com/file/d/0B0YMTXH1gmQsSl9KbWhXaWJKc1k/view?usp=sharing >> >> https://drive.google.com/file/d/0B0YMTXH1gmQsMjlMTlNPeWJqdkk/view?usp=sharing >> >> > I don't know what I'm supposed to be looking at, and without the chain > topologies it's impossible to troubleshoot. Please upload a *complete* > archive (.tgz) of all files (coordinates, topologies - .top and .itp, force > field, etc) needed to execute grompp to reproduce the problem. Also > provide the exact command you're issuing. > > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Ruth L. Kirschstein NRSA Postdoctoral Fellow > > Department of Pharmaceutical Sciences > School of Pharmacy > Health Sciences Facility II, Room 629 > University of Maryland, Baltimore > 20 Penn St. > Baltimore, MD 21201 > > jalem...@outerbanks.umaryland.edu | (410) 706-7441 > http://mackerell.umaryland.edu/~jalemkul > > ================================================== > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.