[gmx-users] pullx.xvg / pullf.xvg

[Poojari, Chetan]

Hi,

I am following the umbrella sampling tutorial written by Justin Lemkul.

I was successfully able to run the umbrella sampling simulations, but for each configuration it outputted a single xvg file.

For the data analysis i should have pullf.xvg / pullx.xvg files....but these files are not outputted after the simulation run.

I haven't made any changes to the .mdp files mentioned in the tutorial.


Please can i know what might have gone wrong that it has not produced pullf.xvg and pullx.xvg files.



Kind regards,
chetan.

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