Dear All,
I am running energy minimization "mdrun -v -deffnm em". The number of atoms in
my system is far more than 4018, especially after the water box edded.
However in the "mdrun -v -deffnm em" running process, the screen shows "Step=
816, Dmax= 1.9e-02 nm, Epot= -3.04546e+06 Fmax= 1.54937e+04, atom= 4018".
Will you please tell me why the atom number is only 4018? Have I done something
wrong?
Cheers,
Acoot
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