[gmx-users] Hi All..one question about charge making

Mark Abraham 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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