Dear all,
I’m trying to do umbrella sampling simulation which drugs penetrate the POPC
membrane.
I have trouble what if I do npt or umbrella simulation, the drugs move around
from the initial location.
(I got each 0.1 nm spacing window for npt and umbrella simulation)
So, these results cannot
On 5/30/15 1:25 AM, yoochan wrote:
Dear all,
I’m trying to do umbrella sampling simulation which drugs penetrate the POPC
membrane.
I have trouble what if I do npt or umbrella simulation, the drugs move around
from the initial location.
(I got each 0.1 nm spacing window for npt and umbrella