[gmx-users] Running a single job using 2 different GROMACS version

Mark Abraham mark.j.abraham at gmail.com
Thu Mar 20 14:25:23 CET 2014

On Mar 20, 2014 10:44 AM, "MUSYOKA THOMMAS" <mutemibiochemistry at gmail.com>
> Dear Users,
> I have prepared a simulation job through to NPT equilibration using
> version 4.5.5. Since the final md run is quite long, I submitted the final
> mdrun job to a cluster with Gromacs version 4.5.7 installed. Is this in
> way going to affect my results?

Maybe - we release versions with bugs fixed for a reason! ;-) See
http://www.gromacs.org/About_Gromacs/Release_Notes/Versions_4.5.x for
clues. You will have to assess whether things mentioned there might be
relevant for your situation. Ask a focussed question if you need to.


> Thanks
> --
> 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-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list