[gmx-users] Domain decomposition error with -rerun
drrahulsuresh at gmail.com
Sat Apr 28 08:41:49 CEST 2018
That indicates a problem with dynamic load balancing. Try to build
different sizes of the box.
On Sat, Apr 28, 2018 at 11:57 AM, Sahithya S Iyer <sah2714 at gmail.com> wrote:
> I am trying to calculate interaction between specific residues using gmx
> mdrun -rerun flag. The trajectory was in a dcd format, which I converted to
> a trr file. I get the following error -
> Domain decomposition has not been implemented for box vectors that have
> non-zero components in directions that do not use domain decomposition:
> = 1 8 1, box vector = 0.000000 10.536000 0.000000
> Can someone please tell me what could be going wrong here ?
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