Hi everyone!
I'm doing an MD run on Gromacs on HPC and the error attached below popped up. The original rlist was 1.2, and I tried decreasing it to 1, then 0.5, then 0.1, but the same error still pops up.
Thank you so much for your help!
Annesha Debroy
The basic science behind the rlist value is, it is the cutoff for the gromacs to search for the neighbours, the value of rlist should never is larger than half of the box length for cubic box. Don't try to randomly decrease the value, assign the list as half of the a box length or a little less, simultaneously reduce rcloumb=rlist, rvdw=rlist and rvdw switch values, the switch will be less than the rvdw value.
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