[gmx-users] Tabulated potential error

[Pallavi Banerjee]

Hello all,

I am carrying out Iterative Boltzmann inversion on a polymer-water system.
I provide tabulated bond, angle, dihedral and a selected few non-bonded
interactions as input in the tabulated format. After only a few md steps, I
get the following error:

 A tabulated bond interaction table number 1 is out of the table range: r
2.648816, between table indices 1324 and 1325, table length 1251

What could be done to circumvent this issue?

Many Thanks

-Pallavi Banerjee