It seems your waters are not interacting with the graphite planes. Do they form a drop if you just run with the initial parameters, no adapt, no fep?
Agilio
It seems your waters are not interacting with the graphite planes. Do they form a drop if you just run with the initial parameters, no adapt, no fep?
Agilio
yes sir,
its forming a droplet, i ran a short nvt simulation of 1000ps. The dump file shows everything is fine while the nvt run is going on.