Yang Ye wrote:
On 7/9/2007 12:47 PM, Mark Abraham wrote:
Jim Kress wrote:
Unfortunately, I need Grace since it is the only graphics program
supported
by gromacs (my primary MD code)
Nah... the xvg output files are readily readable by lots of programs -
you just lose the labelling of axes and data sets (which isn't always
right anyway). In particular, there's a command for gnuplot to tell it
to ignore the lines starting with both "@" and "#" as comments, and
now you're home free...
And for almost all gromacs progs, -noxvgr can be used to output data
only without Grace-specific code.
Good point... and now if you use the -W option to g_energy and create a
symbolic link in your $PATH from "grace" to "gnuplot" you might even get
useful automatic plots - I've never tried this out though.
Mark
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