[gmx-users] Re: Pulling

[Thomas Schlesier]

If you use periodic boundary conditions, there is no need that the 
protein stays at one side of the box.
For the pulling simulation: Read the chapters 6.4 (explains the 
pull-code) and 7.3.21 (explains the mdp-paramters).
Additional information you an also get from Justin Tutorial for Umbrella 
Sampling 
(http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/umbrella/).
Greetings
Thomas


Am 30.06.2013 01:07, schrieb gmx-users-request at gromacs.org:
> Dear users,
>
> I have a sytem including protein, lipids, and water. My protein is in
> center of the box. Now i want it stays at one side of the box. Which tool
> or command should i use to pull the protein to a any mong mu???n location ?
>
> Thankful for any help !
> Thu