[gmx-users] Hi All..one question about charge making
Mark.Abraham at anu.edu.au
Fri Aug 31 04:59:39 CEST 2007
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.
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