Hello,
Earlier i used fix langevin to create brownian particle. By taking low value of damp parameter i could able to reach to overdamp limit. But it is taking more computation time because it is considering second order derivative. In overdamp limit the langevin equation contains only first order derivative. I found that fix brownian/asphere command, the equation is not having the second order derivative. If i use fix brownian/asphere to simulate brownian particle in overdamp limit, will it save the computation time? Or it takes same time?
Anyone please clarify this doubt.
Thanks in advance
How do you know that fix langevin is taking so much time and not something else?
Thanks for your reply.
Actually, I am trying to simulate the brownian particle using Langevin equation which is second order differential equation in underdamp case. But when we make it overdamp, it is first order differential equation, which is fix brownian. Basically calculation of second order derivative takes more time i think. I just want to know this point.
That is just speculation and not even a convincing one.
So both fix langevin and fix brownian/asphere takes same time?
The time consumed by either fix is miniscule compared to the time spent on computing forces and building neighbor lists.