tsjerkw at gmail.com
Mon Jan 22 20:28:12 CET 2007
Depends on what you really want to do. There is a program g_sdf on the
contributions page, which can calculate spatial distribution
functions. I have a modified version of g_density (somewhere), which
can be used to plot time averaged densities of a given selection. If
the latter is what you want, you can contact me off-list.
On 1/19/07, Roman Holomb <romhol at fy.chalmers.se> wrote:
> Dear GROMACS users,
> I have a question related with 3D-distribution of molecular density
> around a central molecule.
> Is it possible to get such plots from GROMACS trajectory file?
> Thanks in advance!
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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