[gmx-users] analyze an md run
JLenz at zbh.uni-hamburg.de
Wed Jan 31 16:35:59 CET 2007
i have modelled a system containing a protein plus a DNA and water molecules.
Now I am wondering, if it is possible to use s.th. like g_energy to plot the
fluctuation of energy, temperature, pressure etc. only of the protein and the
DNA and NOT with the water molecules. that is because i want to compare
several simulation runs and their changes in energy, temp ... .
Is there any option to do so ? I also have defined lots of index groups for
distinguish between groups in the system.
So I would be very happy if you have a solution for my problem, thank you very
much in advance and have a nice evening.
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