Dear Justin.
Thanks for response. I used constraint method because I wanted to calculate
MSD, How does using a bigger box helps me? because when I make box bigger,
I need to run a little bit to equilibrate system, and again the tocopherol
can move and come out of the box.
On Tue, Sep 22, 2015 at
Dear Gromacs users
I want to calculate the PMF of tocopherol in DMPC bilayer system. For this
means, I used Constraint method. the pull code in my .mdp file is :
pull = constraint
pull-geometry = distance;distance, direction, or cylinder
pull-dim = N N Y
pull-constr-tol = 1e-6
pull-start =
On 9/22/15 3:46 PM, Sepideh Kavousi wrote:
Dear Gromacs users
I want to calculate the PMF of tocopherol in DMPC bilayer system. For this
means, I used Constraint method. the pull code in my .mdp file is :
pull = constraint
pull-geometry = distance;distance, direction, or cylinder
