Prasad Gajula wrote:
Dear Gromacs users,
can some one give me a hint to calculate the " rmsd fluctuation of the
dihedrals" to see the angle dynamcis.
compute the angles as a function of time (g_angle), then use xmgrace to
compute the fluctuations.note that dihedrals are periodic, so averages
and fluctuations may not make much sense. You are better of with a
distribution (g_analyze on the results of g_angle).
thanks in advance
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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