I’m trying to simulate 2 shapes in one simulation box by defining two regions.
The shapes are block and sphere So that the sphere is in the middle of the block.
After 32000 thermal cycles, the block shrinks and comes into contact with the sphere
and suddenly Silmulation stoped by this error :
Non-numeric positions - simulation unstable (src/nbin.cpp:144)
I do not understand the reason for this error. Could someone guide me?
Somehow the force for at least one atom has become an invalid value. For example due to being too large or due to a division by zero.
Why exactly is difficult to say due to the limited information you provide.
After building the two structures and equilibrating them to ambient temperature, I merged them and performed the minimizing operation and then I used first NVT in 1300 kelvin and then NVT 600 kelvin with time step 0.5fs…
Thank you
Sorry, but that information doesn’t help.