[gmx-users] Any way to use GROMACS 4.6.x and 5 together

Bin Liu fdusuperstring at gmail.com
Sat Aug 2 00:32:03 CEST 2014

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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