uki zhu wrote:
Dear all gmx-users,
Sorry to bother you.
I am trying to make a molecule with a unit charge well-distributed. But
I do not know how to write such *.top file. Does every atom get the same
charge at the beginning? And can we use Gromacs to simulate the changes
of the charge distribution?
I don't understand what you're trying to do, or why you think GROMACS is
suited for doing it.
Mark
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