ABEL Stephane 175950 wrote:
Hi gromacs users
For my work I have performed some simulations of a protein in water with an
other MD software not compatible with GROMACS. And I would like to compute the
time evolution of the secondary structure of my protein, I know that the
do_dssp tool in GROMACS is made for this. This tools also plot the results in
.xpm matrix file which can be convert with the xpm2ps tool give in gromacs. Is
it possible to have an (small) exemple of an .xpm file generated by the do_dssp
tools
Just run a 10-step MD simulation and generate one yourself. Or convert
your other trajectories into .pdb format and use that as input to
do_dssp. You do not necessarily need a .tpr file for do_dssp, see "man
do_dssp" under the "-s" flag.
Mark
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