Hi,
Things can also be unstable because the starting configuration is too wrong
for the model at normal step sizes, even when the model is valid, because
the forces produce movements that are too large for the time step. You
should also consider being super gentle as you start equilibration, e.g.
Dear Gromacs Users,
I have been trying to simulate a docked complex of cellobiohydrolase with
cellotriose for the past 1 week. I have derived the parameters of
ellotriose from ATB server and with these parameters I am getting LINCS
warning at the nvt equilibration step, which I assume is due to th
