non periodic

Dear,
I am trying to make bulk electrolyte (Na, EC, DMC, PF6) which has periodic(x,y)and non-periodic(z). When I increase the temperature (from 10K -> 300K) or reduce box size(60A -> 42A), there is error message “bond atoms # # are missing”. I know this means that the system is unstable. So, I tried reducing timesteps and increasing time, but didn’t work…

I guess this is because of non-periodic, because when I run this system in periodic(x,y,z) there was no problem.

Is it possible that periodic(x,y,z) system can be changed to non-periodic(z) system after increasing temperature and reducing box size ?

Dear,
I am trying to make bulk electrolyte (Na, EC, DMC, PF6) which has
periodic(x,y)and non-periodic(z). When I increase the temperature (from 10K
-> 300K) or reduce box size(60A -> 42A), there is error message "bond atoms
# # are missing". I know this means that the system is unstable. So, I
tried reducing timesteps and increasing time, but didn't work...

I guess this is because of non-periodic, because when I run this system in
periodic(x,y,z) there was no problem.

Is it possible that periodic(x,y,z) system can be changed to
non-periodic(z) system after increasing temperature and reducing box size ?

​have you visualized your trajectory? do atoms leave the system? did you
set "thermo_modify lost ignore"?

axel.​