I am trying to use negative velocity ramping method to reduce the
volume of the system. There are two molecules which are separated by
finite distance. When I am trying squeeze them together; I am getting
ERROR on proc 0: Failed to allocate -575198064 bytes for array neighbor:binhead
if I change the option of inner and outer distance in my input script
pair_style lj/charmm/coul/charmm 20.00 20.10
the bytes value changes.
It seems like once the chain is coming closer to the another chain, it
starts feeling the presence of the other chain but neightbor array is
not getting changed.
Could anybody has any suggestion to solve the problem?