On 9/08/2011 9:13 PM, afsaneh maleki wrote:
Hi,
I used thermodynamics integration method (TI) to obtain delta Gibbs
energy of the protein membrane. I want to separate contributions of
delta bonding and nonbonding energy in delta Gibbs energy.
So instead of using the sum of bonded and non-bonded energy (i.e. total
PE), use them separately. Whether that will mean anything is up to you
to demonstrate.
Mark
Best wishes,
Maleki,
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