Gromacs-2021.1-qmmm, Aborted (core dumped)

QM/MM for Biomolecular Simulation
1

I am facing a problem running QMMM calculation using gromacs-2021.1-qmmm (cp2k). It is showing Aborted (core dumped) in QM production run through gromacs. Kindly, help.

2

Hi, could you give an additional inforamtion:

  1. Which version are you using (from where it was downloaded?)
  2. Could you give full output of gromacs (with error) and mdp file, used to setup simulation?
  3. cmake command, that you used to configure this version