Assertion failed: Condition: ip.constr.dA > 0 We should only have positive constraint lengths here

User discussions
1

GROMACS version: 2022.2
GROMACS modification: No
Hi, I was trying to run NVT after Minimization of a protein-ligand complex when I encounter this error: Assertion failed:
Condition: ip.constr.dA > 0
We should only have positive constraint lengths here.

What does it mean and any ways to resolve it?

Thanks. :D

2

This is a bug. A user should never see assertion failures.

But there is something wrong in your input. You have a constraint where the distance parameter is <= 0 nm. Maybe you put a constraint in your topology with 0 length?

3

Note that one can actually have constraint length of zero in the topology for using flexible constraints. But I assume that that is not your intention.

4

I created an issue and uploaded a fix, to be included in 2022.4: