I’m trying to vitrify/then heat monatomic water (which utilizes Stillinger-Weber), which ignores the hydrogens and the electrostatics associated with a usual water molecule. Hence, I’m pretty sure making the bonds rigid will not apply to my model.
I’ve just started running my simulations at nvt for a certain temperature and then I’ll be vitrying it after this simulation. Seems to be running so far.
Steve’s suggestion for nve + temp/rescale was working when i did a test run earlier.