Hi,

I got the following error message while running parallelized simulations with OpenMP:

OpenMP threads have been requested with cut-off scheme Group, but these are only supported with cut-off scheme Verlet

I set the cut-off scheme to Verlet by adding the line "cutoff-scheme = Verlet" to my mdp files, as suggested in the mailing list (https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2014-March/088079.html).

However, with this modification to my mdp files, I am still getting the same error message as above.

The Gromacs version I used is 4.6.5, installed via Anaconda.

Thank you for your help in advance!

Kind regards,

Gangtong

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