[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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