On 12/1/19 3:48 AM, Lalehan Ozalp wrote:
Hello Christian, thank you for providing the patch. However I wonder if there is an easier way to convert a.u to frequency - as I need to install GROMACS from the start to install the patch. One more thing, I used version 5.0, not 2019, and the patch is written for the version 2019.
Change the axis label in the .xvg file with a text editor or re-label it in XmGrace once the data are plotted. You don't need to run the analysis again with the updated code.
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