Dear Zhiguo,
another possibility to calculate the entropy (including the vibrational
part) is to select only certain residues, e.g. amino acids nearby the
binding location of the domains, instead of calculating the whole
complex. Selecting only certain residues should give results in a
reasonable amount of time and allow to perform these calculations even
with few memory.
Regards,
Martin
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Received on Thu Jun 30 2005 - 11:53:01 PDT
