[gmx-users] Identifying representative structures from a g_sham

Bailey A. ab604 at soton.ac.uk
Wed Sep 21 13:06:40 CEST 2011


Thanks for this - very helpful and I think I've been able to identify the structures I'm interested in.

Incidentally, I saw the earlier correspondence about plotting the axes using g_sham.

I'm having similar difficulties - I can generate axes, based on the data range using -xmax and -xmin when I invoke g_sham, but can't seem to do anything to improve them when I use a .m2p file when I invoke xpm2ps. It'd be most useful to get it to put tick marks at zero, but it seems to ignore the .m2p for this setting.

Did you ever resolve this? Or is the a better way to identify the pc coordinates than from the plot?

Thanks again for the help.


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