Alessandro Casoni wrote:
Dear gmx-users,
i would like to generate a 3D plot of my potential energy/RMSD/radius of
gyration.
I used g_energy, g_rms and g_gyrate to collect informations on my
simulation..any suggestion on software able to generate 3D plot?
Please check
Marvin Seibert, Alexandra Patriksson, Berk Hess and David van der
Spoel: Reproducible polypeptide folding and structure prediction using
molecular dynamics simulations J. Mol. Biol. 354 pp. 173-183 (2005)
We used g_sham to combine the data and Visit (visit.llnl.gov) for the 3D
plots. The software has evolved since then obviously, so you can
probably make it (even) prettier now. An alternative is gnuplot.
thanks
alessandro
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
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