Dear Mark, Somehow I felt that I should have read the Manual.... thanks :)
Bin, pelase forget my post. t On Mon, Aug 4, 2014 at 1:39 PM, Mark Abraham <[email protected]> wrote: > 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]. -- 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].
