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Hi, Im Santhosh.
I identified a potential problem in the conan.py script.
In the script, at the line 1733, the code checks for the gmx executable but doesn't verify the availability of gmx_mpi. This might cause issues for new users whose system only has gmx_mpi instead of gmx.
Line 1733 ```
program = which("gmx")
if program == '':
print("Gromacs executable was not found")
else:
print("Using gmx executable in %s" % program)
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