Hi
I have a system which is concluding pore and wall constraints in middle of my box.I have counterion and polymer in my box.After warm up ,sometimes outside the pore I recieve this errors:particle coordinate out of range
or constraint pore violated by conterion
or constraint wall violated by contrrion
and inside the pore always recieve this errors: particle coordinate out of range+ bond broken +constraint por violated by particle.
I tried with smaller time steps and increased the warm up of my system and use mod PSAW for set the chain polymer but remain this problems .
I before used espresso 3.0.1 and never recieves this errors.
Can you please suggest me?
I attached the part of my simulation.
thanks