[gmx-users] How to include Mg in the input file?

srinivas aripirala srinivas.aripirala at gmail.com
Wed Jul 18 22:50:22 CEST 2007


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?

Thanks in advance
Srinivas
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