[gmx-users] Documentation on gmx densorder?
Smith, Micholas D.
smithmd at ornl.gov
Thu Aug 30 15:34:42 CEST 2018
Dear GMX users,
I was wondering if anyone has used the gmx densorder (originally g_densorder) in the past utility in the past. I have system with an interface and the idea of "
gmx densorder reduces a two-phase density distribution along an axis, computed
over a MD trajectory, to 2D surfaces fluctuating in time, by a fit to a
functional profile for interfacial densities" seems rather interesting. However, I haven't found any more documentation on this tool (i.e. what the binary format of its output is actually used for).
If anyone has used it and has some pointers on what the output should be read with, or remembers the paper(s) it originated from it would be quite useful.
Micholas Dean Smith, PhD. MRSC
Post-doctoral Research Associate
University of Tennessee/Oak Ridge National Laboratory
Center for Molecular Biophysics
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