Dave Segala wrote:
Dear All,
I have complete my MD run and have produced a .trj file which you know
contains all atom x, v and f for each time step. I know that I can view
this file using gmxdump. Is there a way to actaully get these values using
matlab, C, C++, or even excel to use them?
No these are proprietary and protected by DRM. Only GROMACS tools can
get the values :-P
Redirecting the output gmxdump to a text file and slurping that up is
the easiest way, although probably the least elegant.
Mark
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