Just sourcing the corresponding GMXRC when you want to switch is a quicker and easier solution!
Mark On Mon, Aug 4, 2014 at 7:08 AM, Tamas Karpati <[email protected]> wrote: > Dear Bin, > > On Sat, Aug 2, 2014 at 12:44 PM, massimo sandal <[email protected]> > wrote: > > Compile them with different suffixes? So that you have binaries like > > mdrun_46 and mdrun_50 ? > > Additional tip: if you don't want to rename all the executables > you may simply create a soft link to one of the install folders, > then -when need to change- remove it then re-create with the other one. > > In detail: I have the following lines in my /home/myname/.bashrc: > > export PATH=${PATH}:${HOME}/gromacs_bin/bin > export LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:${HOME}/gromacs_bin/lib > > I have two (in fact more) compiled versions: gromacs-4.6.6_bin and > gromacs-5.0_bin. When I want to use the 4.6.6 version: > > rm -f ~/gromacs_bin > ln -s ~/gromacs-4.6.6_bin ~/gromacs_bin > > Then to switch to the other: > > rm -f ~/gromacs_bin > ln -s ~/gromacs-5.0_bin ~/gromacs_bin > > If you're in a unix shell, you need to re-open it for .bashrc to take > effect. > > I assumed you're running GROMACS under some Linux/Unix platform > but probably the same can be achieved on any other OS. > > Hope this helps, > t > > > On 2 Aug 2014 00:32, "Bin Liu" <[email protected]> wrote: > > > >> Dear everyone, > >> > >> I am having trouble with putting GROMACS 4.6.x and 5 together. If I put > >> these two lines in .bashrc file, > >> > >> source /usr/local/gromacs4.6.5/bin/GMXRC > >> source /usr/local/gromacs5.0/bin/GMXRC > >> > >> The second line will undo the work by the first line, i.e., I can use > only > >> gmx order of GROMACS 5 (for example), not g_order of GROMACS 4.6.5 > >> > >> Is there any way to let these two versions work together? Or I should > just > >> put both directories in the PATH environment variable? Thanks. > >> > >> Cheers, > >> > >> Bin > >> -- > >> 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 [email protected]. > >> > > -- > > 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 [email protected]. > -- > 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 [email protected]. > -- 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 [email protected].
