[gmx-users] analysis

Justin A. Lemkul jalemkul at vt.edu
Sun Oct 17 17:42:22 CEST 2010

mohsen ramezanpour wrote:
> Dear Gromacs users
> I am searching for a good text for underestanding analysis tools.
> Of course I had read the user manual (chapter 8),But I think I need more 
> about them.for example I want a mathematical description
> and an easy explanation of analysis tool's results from a MD trajectory.
> Please let me know if you know a good reference.

This is a bit of a broad request, one that is not easily satisfied.  For more 
complex algorithms, the manual cites the relevant literature.  For more simple 
tasks, even Wikipedia usually has a reasonable answer.

Other than that, start looking for molecular modeling text books and prepare for 
a long time reading.


> thanks in advance
> Best
> Mohsen


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