Hi,
g_traj is probably a better alternative - that tool will write a .xvg
file with separate fields for x,y,z coordinates!
Cheers,
Erik
On Jun 21, 2007, at 3:16 PM, Mark Abraham wrote:
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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