Dear AMBER Community,
A quick question about Entropy analysis with ptraj. When calculating a
mass weighted covariance matrix the following is output to the ptraj
output file.
7> MATRIX: Calculating mass weighted covar matrix by atom using no
mass weighting
Why would mass weighted covariance matrix be calculated without mass
weighting? I have seen this in a few other postings where people have
been doing entropy calculations so I know it is not just an isolated
incident.
Daniel Oehme
PhD Student, La Trobe University
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Received on Fri Apr 14 2006 - 03:25:43 PDT
