Ran Friedman, Biochemisches Inst. wrote:
Dear Marcin,
You can contact me off list for a script that calculates the QH
entropies from the output of g_covar. Also, IIRC there should be a
version of g_covar that already does it somewhere (CVS-?).
Yes indeed. Please compare the results with your
Dear Marcin,
You can contact me off list for a script that calculates the QH entropies
from the output of g_covar. Also, IIRC there should be a version of g_covar
that already does it somewhere (CVS-?).
Ran.
On Wed, 31 Oct 2007 17:40:45 +
Marcin Krol <[EMAIL PROTECTED]> wrote:
Dear All
Dear All,
Sorry for the repeated question, but I'm a bit lost when I want to get
frequencies of modes from quasiharmonic analysis done with g_covar. From
what I understood in QH
omega = sqrt(kT/lambda), where omega is the radial frequency, k -
Boltzmann const, T-temp, and lambda is the eigenva
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