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On 9/08/2011 9:13 PM, afsaneh maleki wrote:
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<p class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; LINE-HEIGHT:
200%"><font face="Times New Roman" size="3">Hi,</font></p>
<p class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; LINE-HEIGHT:
200%"><font face="Times New Roman" size="3"> </font></p>
<p class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; LINE-HEIGHT:
200%"><font face="Times New Roman" size="3">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.</font></p>
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<br>
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.<br>
<br>
Mark<br>
<br>
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<p class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; LINE-HEIGHT:
200%"><font face="Times New Roman" size="3">Best wishes,</font></p>
<p class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; LINE-HEIGHT:
200%"><font face="Times New Roman" size="3">Maleki,</font></p>
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