Axis limits on free energy versus time plot can be unreasonable in some cases

[gduarter]

It would be interesting to adjust the axis range in such a way that if the error associated to a point in the plot is bigger than, say, 1.0 free energy unit, the scripts only prints the graph within a reasonable range. This way plots like the one attached here wouldn't happen.
dF_t_5ns_acetaminophen.pdf

[davidlmobley]

Can you provide a link to the .xvg files for this to make
troubleshooting/fixing easier? (i.e. Dropbox link)

On Wed, Jan 13, 2016 at 2:04 PM, Guilherme [email protected] wrote:

It would be interesting to adjust the axis range in such a way that if the
error associated to a point in the plot is bigger than, say, 1.0 free
energy unit, the scripts only prints the graph within a reasonable range.
This way plots like the one attached here wouldn't happen.
dF_t_5ns_acetaminophen.pdf
https://github.com/MobleyLab/alchemical-analysis/files/89550/dF_t_5ns_acetaminophen.pdf

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David Mobley
Associate Professor
Department of Pharmaceutical Sciences
Department of Chemistry
3134B Natural Sciences I
University of California, Irvine
Irvine, CA 92697
[email protected]
work (949) 824-6383
cell (949) 385-2436

[davidlmobley]

@gduarter - can you provide a link for the .xvg files for this?