[gmx-users] access to gmx

Mostafa Javaheri javaheri.gromacs at gmail.com
Tue Mar 4 22:32:27 CET 2014

Dear gmx users
I installed fftw and gromacs 4.5.3 version under home directory (both
double-precision), after installation I tried the following commands
but none of them could introduce gromacs to the bash shell:
1.make links
2.source /home/WeNMR/ProgramFiles/gromacs/bin/<GMXRC, GMXRC.bash or GMXRC.*>
3.export PATH=$PATH:/home/WeNMR/ProgramFiles/gromacs/bin in basrc
To be assure of correct instaIlation, I run one of the programs e.g.
pdb2gmx by the following command in
/home/WeNMR/ProgramFiles/gromacs/bin directory:
How could I get access to gromacs?

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