David van der Spoel ha scritto:
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
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before
posting!
Please don't post (un)subscribe requests to the list. Use the www
interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
thank you David,
you probably solved my problems....
g_sham to combine the data?
for example g_sham -f energy.xvg -f rmsd.xvg -f gyrate.xvg ?
and output?
alessandro
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
