On Fri, May 25, 2012 at 2:34 PM, Justin A. Lemkul <jalem...@vt.edu> wrote:
> > > On 5/25/12 5:52 AM, Steven Neumann wrote: > >> Dear Gmx Users, >> >> My system is made of 3 proteins. As I want to use distance restraints >> dynamics >> between atoms belonging to each of them I have to produce topoloy with one >> moleculetype. I used pdb2gmx -chainsep interactive (I used merge: yes). >> >> Then when I process to grompp the error: "unknown cmap torsion between >> atoms >> ......." >> >> These atoms belong to the last residue of the chain A and to the first >> residue >> of Chain B. How to get rid of this? Please, help. >> >> > http://redmine.gromacs.org/**issues/885<http://redmine.gromacs.org/issues/885> > > Either apply Mark's patch posted there or download the latest > release-4-5-patches branch via git. > > -Justin > > Thanks! I need to talk to the administrator as the Gromacs I am using is on the cluster. Would you suggest to install GMX 4.5.5 first and then apply the patch? Steven > -- > ==============================**========== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin> > > ==============================**========== > > -- > 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