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-requ...@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
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