What (change in) free-energy difference are you trying to measure? How
do these potential energy (differences) relate to them?
Mark
On Sat, Jun 29, 2013 at 7:13 PM, Leandro Bortot wrote:
> Dear users,
> is the energy output from g_energy really in kJ/mol?
>
> As an example, I wanted to
Dear users,
is the energy output from g_energy really in kJ/mol?
As an example, I wanted to know which isoform of a protein forms the
most stable dimer. I calculated the potential energy of the interaction
between two monomers of the dimer and I got -2000 kJ/mol for one isoform
and -4000
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