[gmx-users] (no subject)

Mark Abraham Mark.Abraham at anu.edu.au
Thu Oct 21 16:03:09 CEST 2010

On 21/10/2010 11:55 PM, Nilesh Dhumal wrote:
> Hello,
> I am working on a system which has a diatomic solute surrounded by water
> molecules.
> I want to calculate the energy for each step with and with out charge on
> solute simultaneously.
> Pl. help me solve this problem.

I don't understand what you want to do.


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