[gmx-users] Analysis tool tips as I check around

[Anton Feenstra]

Cetin Baloglu wrote:

> Hi there,
> 
> I am quite impressed for what's written on Gromacs web page and want to use 
> it. Recently I have many namd trajectories in charmm format and would like to 
> analyze them by gmx tools. Although I'll hack it in time, I'd like to have an 
> idea about the analysis modules. By using quatfit and writing some piece of 
> codes , I get carbon alpha fluctuations, relaxation time values, stretched 
> exponential values , calculated heat capacities, and radius of gyration. Can I 
> do them in gmx easily ?What kind of protein analysis modules are available so 
> that I can have an idea about the structural changes in time. Is there any 
> modules such that one can understand the contribution of different types of 
> residues  ?

Yes. Check the online manual for a complete list of (analysis) tools:
http://www.gromacs.org/documentation/reference_3.2/online.html
Somewhere halfway the page is a section 'Programs by Topic'.

There are many tools that can analyze 'contributions' for residues.


-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
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