[gmx-users] Re : Tabulated potential error

[Pallavi Banerjee]

Hi Mark,

The maximum bond distance provided in the table_b1.xvg file is 2.5 nm. I
would guess pbc is the culprit here?
2.5 nm is already much greater than the maximum of the atomistic bond
distribution. I don't know what's going wrong.

When I carry out the very same process with a system of 1 polymer chain in
water, this error doesn't occur , but when my system has 15 polymer chains
in water, the error immediately pops up.

Any suggestions?

Many Thanks!

-Pallavi Banerjee