[gmx-users] potential oxiredution

Mark Abraham Mark.Abraham at anu.edu.au
Tue Oct 31 14:10:34 CET 2006

Elias santos wrote:

> Some way to calculate the oxiredution potential (ORP) using the Gromacs 
> package?

No, since you can't simulate a system with MD that's large enough that 
such a bulk observable would be at all meaningful - and even then you'd 
get out the answer you put in by choosing the solutes.


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