[gmx-users] Can 3.3.3 and 4.0.5 version exist at the same time?

Chih-Ying Lin chihying2008 at gmail.com
Fri Sep 4 06:10:47 CEST 2009

The 3.3.3 and 4.0.5 version were installed under =>
source /usr/gromacs/4.0.5/setup.sh
source /usr/gromacs/3.3.3/setup.sh*

*The 4.0.5 version is currently the default one.*
I want to compare the computation results from 4.0.5 version and 3.3.3

So, I write the
*source /usr/gromacs/3.3.3/setup.sh*
into both my .cshrc file and .pbs file.

After this command for 3.3.3 version
grompp_mpi -np 16 -v -f minim.mdp -c 6LYZ.gro -p 6LYZ.top -o

I obtained the errors shown on the screen.
Program grompp_mpi, VERSION 4.0.5
Source code file: statutil.c, line: 727

Invalid command line argument:

"I Wrapped a Newspaper Round My Head" (F. Zappa)

What happened?
How to solve the problem?

Thank you
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