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On 30/03/2012 12:11 PM, Acoot Brett wrote:
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<div style="RIGHT: auto">Dear All,</div>
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<div style="RIGHT: auto">I remember before I have read a
something on melting the protein from a predefined starting
temperature to a predefined end temperature by MD, so that
after the MD we can look at the whole process to see which
part of the protein unfold earlier, which part of the protein
of the protein unfold earlier. No I cannot find that
introduction.<var id="yui-ie-cursor"></var></div>
<div style="RIGHT: auto"> </div>
<div style="RIGHT: auto">After we equilibriate the protein
system, will you please tell me how to define the temperature
gradient from the start temperature to the end temperature in
the mdp file? Or do you have a protocol on it?</div>
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<br>
Simulated annealing. See manual and/or textbook material.<br>
<br>
Mark<br>
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