Subject: Re: problem about dynamics
From: Markus Heller
Date: May 11, 2006
Previous: 125
Hi to all!
hi,
Ive finished the structure calculation of a protein and now work on
its dynamics. Unfortunately I found its fully anisotropic. As a newer,
I dont know how to study .And with chemistry background, Im confused
with so many formula in the articles.
same here. thats normal ...
And so I ask for help here.Hope to get information from someone and
thank you!
as josh pointed out, TENSOR is certainly an option.
however, i prefer to do this kind of stuff on the command line, and i
use modelfree with fastMF as an ``interface. the latter is a
perl-script written by roger cole while graduating in pat lorias
group. works like a charm (setting up a modelfree run takes about 1
minute). and when you work your way through the code, you get a good
idea of how the model selection actually works ...
if that sounds tempting to you, look here:
http://xbeams.chem.yale.edu/~loria/software.htm
hth
markus