There were ... inconsistent shifts. Check your topology

User discussions
1

Dear GMX users,

I performed MD simulations of a system that consists of a polymer and amorphic silica. The silica structure was selected from INTERFACEFF database. I used the PBC condition along with all directions.

The simulations were completed without any problem. However, many inconsistent shifts occurred.
I have 2 questions.

  1. How can I treat this inconsistent shift?
  2. Is there any other silica parameter that can I use alternatively?

Best regards,

Mijiddorj

3

Dear,

Did you solve your problem? I have a similar problem for Zeolite