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Segmentation fault(core dumped)…command: gmx mdrun -deffnm NPT
Greetings…i keep getting the error message above when i run the command for NPT
I successfully completed the energy minimisation and NVT equilibration run despite finding diffculties with the NPT run
The error message displayed:
step 121: One or more water molecules can not be settled.
Check for bad contacts and/or reduce the timestep if appropriate.
Wrote pdb files with previous and current coordinates
Segmentation fault (core dumped)
i will be very grateful for any assistance because am a new gromacs user and i need to finalise with my simulations for my master thesis.