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Energy group exclusions are currently not supported #3

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ostannick opened this issue Jul 21, 2021 · 0 comments
Open

Energy group exclusions are currently not supported #3

ostannick opened this issue Jul 21, 2021 · 0 comments

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@ostannick
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Hello,

I am trying to backmap a CG structure to an all-atom representation (Amber03).

When I run initram.sh, I get the following error:

ERROR 1 [file 1-EM.mdp]:
  Energy group exclusions are currently not supported

I think group cutoff is deprecated in the latest GROMACS, so I am not sure what to do. Any help would be greatly appreciated

Thank you! :-)

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