|From:||Julien Guénolé <julien.guenole@...4839...>|
|Date:||Sat, 16 Dec 2017 21:53:12 +0100|
Le 16/12/2017 à 15:50, Meral Sharkas via lammps-users a écrit :|
As suggested by Axel, the fix dt/reset is THE good way to do it. And 1 fs is indeed usually VERY large for the PKA...
Also, the litterature on irradiation by MD usually mention the maximum atomic displacement that is allowed during one step of dynamics. So follow these indications !