Also the output from lammps.
after minimization, thermodynamic outputs
thermo_style custom step density temp press pe ke
Thanks
Arun
Also the output from lammps.
after minimization, thermodynamic outputs
thermo_style custom step density temp press pe ke
Thanks
Arun
Hi Arun,
Thanks for your help. I have attached log file where you will see the minimization and NVT part. lammps_output.png is the NPT part where the error appears.
Best
Pritam
log.lammps (8.44 KB)