[gmx-users] mdrun_mpi -rerun bonded interactions

[Vasileios Tatsis]

Dear GRomacs users,

I am using the -rerun option of mdrun to read the coordinates of a trajectory and to compute the potential energy of a molecule during MD. 

This operation when performed in parallel, using mdrun_mpi, the energy of the bonded interactions is not computed. But using one core, with the option -nt 1, all interactions are computed. 


I am using the md-vv integrator.


Thanks in advance for your help
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