[gmx-users] Any way to use GROMACS 4.6.x and 5 together
devicerandom at gmail.com
Sat Aug 2 12:44:05 CEST 2014
Compile them with different suffixes? So that you have binaries like
mdrun_46 and mdrun_50 ?
On 2 Aug 2014 00:32, "Bin Liu" <fdusuperstring at gmail.com> 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.
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