Atoms moving too fast; simulation has become unstable error during additive eABF simulation in NAMD - Can rigidBonds be set to all?

Dear all, I am running eABF simulations using CHARMM36 additive FF in NAMD for a few systems with water. The relevant input parameters are added below. cutoff 12.0;...

23 December 2022 8,678 4 View