srinivas aripirala wrote:
Hello everybody,
I am attaching both the pdb and the inp. while i was trying to run the
inp file.
It errors our saying the Mg (magnesium )
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
Guys when i diagonize i see that there it has included radius for MG as 0.
has anybody come across this problem earlier?
you're not even saying what you want to do, but it looks like QM/MM.
you should probably read up on your QM code whatever it is that does not
support Mg.
Thanks in advance
Srinivas
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