[gmx-users] Pull Peptide Apart
Mark.Abraham at anu.edu.au
Tue Feb 10 01:42:59 CET 2009
Joseph Johnson wrote:
> Hello All,
> I'm fairly new to GROMACS so I apologize for if the question is simple.
> I have a small peptide that I would like to pull apart. What is the
> process for doing this? What type of things should I be reading into?
> Is there any tutorials or code already for such a process? I've seen
> some things on freeze groups and accelerated groups and some on AFM
> pulling but I'm confused as to where to start.
There's a bunch of tutorial material linked here
http://wiki.gromacs.org/index.php/Category:Tutorials. You should get
familiar with "normal" simulations before you make things complex by
trying to pull apart your system. There's definitely a NAMD tutorial
available for AFM pulling on their website, but the details will
obviously be different.
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