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