[gmx-users] Umbrella Sampling

[Moradzadeh, Alireza]

Hi!

I am trying to do umbrella sampling between two 2D-sheets. I did it according bevan lab tutorial the problem I encounter is that after pulling steps. I perform umbrella sampling with rate of 0.0  however, two sheets get back together and initial configuration and final configuration are totally different. Z_start = 0.91 nm and Z_Final = 0.51 nm. Any possible solution?

Thanks,
Alireza Moradzadeh