GROMACS version: 4.6.5
GROMACS modification: No
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 gmx-users 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 I used is installed via Anaconda.
Thank you for your help in advance!