GROMACS version:2023
GROMACS modification: No
Here post your question in npt equilibration process npt.gro file not generated what could be the reason? I am new to gromacs. And other files like… .trr generated.
Thank you
GROMACS version:2023
GROMACS modification: No
Here post your question in npt equilibration process npt.gro file not generated what could be the reason? I am new to gromacs. And other files like… .trr generated.
Thank you
If the final snapshot wasn’t written, that means the job did not complete.
Thank you