[gmx-users] afm simulation

Justin A. Lemkul jalemkul at vt.edu
Sat Nov 19 17:12:24 CET 2011

I attempted to send this before, but received an error message from the list. 
Let's try again...

swati patel wrote:
> Hello Justin,
> I am following your tutorial on umbrella sampling.My project is on afm 
> simulation of streptavidin-biotin complex.Till index.idx i ve created 
> all my files.But as per your tutorial you have discussed of frames 
> extraction and configurations.Since i am dealing with pull afm,so do I 
> also need to extract frames and generate configuration ??


> Please tell me about the next step after doing npt equlibration and generating index.idx files?

Please follow the workflow of the tutorial.  If you are not clear on the 
underlying concepts, please spend some time in the literature.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list