Verlet-buffer-tolerance

User discussions
1

Hi!

I am getting this note:

NOTE 1 [file min.mdp]:
You have set rlist larger than the interaction cut-off, but you also have
verlet-buffer-tolerance > 0. Will set rlist using verlet-buffer-tolerance.

Should I fix something in my .mdp file?

Thanks!

2

That depends on if you directly want to set rlist or have rlist set by the Verlet buffer tolerance automation mechanism. The latter is what is chosen now.