Hi KT, You can have multiple versions installed next to each other. You don't need to remove the version you have to install 3.3.1. Just make sure that you install them in separate directories and that you source the correct GMXRC file.
Cheers, Tsjerk On Fri, Dec 21, 2012 at 8:53 AM, Kieu Thu Nguyen <kieuthu2...@gmail.com>wrote: > But, are there any way using this tool in Gromacs v4.5 ? Since i don't want > to remove version 4.5 and install version 3.3.1 > > Thank All ! > KT > > > On Fri, Dec 21, 2012 at 6:41 AM, Kieu Thu Nguyen <kieuthu2...@gmail.com > >wrote: > > > Thank Justin so much ! :-) > > KT > > > > > > On Thu, Dec 20, 2012 at 11:54 PM, Justin Lemkul <jalem...@vt.edu> wrote: > > > >> > >> > >> On 12/20/12 11:38 AM, Kieu Thu Nguyen wrote: > >> > >>> Dear All, > >>> > >>> I convert cg to fg representation by command lines > >>> > >>> g_fg2cg -pcg cg.top -pfg fg.top -c cg.gro -n 1 -o fg.grog_fg2cg -pcg > >>> > >>> cg.top -pfg fg.top -c cg.xtc -n 1 -o cg2fg.xtc > >>> > >>> But there is a notice "command not found" in the terminal. > >>> I see this command used in Gromacs v3.3.1 > >>> Does it not run in Gromacs v4.5 ? > >>> > >>> > >> g_fg2cg is not an official Gromacs program; it is part of a modified > >> 3.3.1 distribution provided by the MARTINI developers. Their tutorial > >> describes installing and using the modified version. > >> > >> -Justin > >> > >> -- > >> ==============================**========== > >> > >> 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 > -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Biocomputing Group Department of Biological Sciences 2500 University Drive NW Calgary, AB T2N 1N4 Canada -- 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
