[gmx-users] CMake Error at cmake/gmxManageSimd.cmake:67 (message): Found a compiler flag for AVX2 support, but some other problem exists.

[Atila Petrosian]

Dear Mark,

Thanks for your quick answer.

Now, how to use gromacs 5.1.3 commands?

The reason of my question:

There is gromacs 4.5.4 (in /opt/bio directory) in my Rocks cluster system
by default.

I used source /usr/local/gromacs/bin/GMXRC,

then

pdb2gmx

Unfortunately, pdb2gmx related to gromacs 4.5.4 is run.

Please guide me to resolve this issue.

Best,
Atila
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