[lammps-users] Equilibration problem

Thanks Navdeep & Steve,
I wasnt careful; I did get that warning about atoms being integrated twice. So, I need to do an energy minimisation and then fix NVE for equilibration?Or should I fix NVE first and then unfix and go for a NPT fix? I am confused, we normally fix NPT first at constant pressure and then perform NVE to see if the temperature remains constant. Is that the right method in LAMMPS as well?

Wishing all LAMMPS forum folks a Merry Xmas
Nandu Gopan