Hi Steve,
I am (unfortunately) using the same potential model throughout, so I guess that’s not the problem. Thanks for the quick reply and advice though.
Best
Jack
Another thought of something to look at. If the temp
of the hybrid system goes from 2700 to 4000K in one
timestep, the forces must be huge. So the pressure
probably is as well. You can use
compute reduce on steps 0 and 1 to print the max
force on any atom, and compare that to what you
get in your 2 single-component systems. My guess
is they will be very different.
Steve