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

Cetin Baloglu baloglu at gmail.com
Thu Jun 23 23:36:02 CEST 2005

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  ?

Cetin Baloglu

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