For the practical, it is necessary to define TOPPAR and the path to CNS:
 
setenv CNS_TOPPAR ... (e.g., /home/nilges/nmrcalc/toppar)
alias cns ... (e.g., /home/nilges/bin/cns)

and to work in tcsh.

The inputs directory contains all the input files. 

note: {===>} indicates lines that need to be modified if you change data/ molecule/ ...

1) 
Run 
generate.inp 
generate_template.inp
and look at the results (the .psf file with a text editor; the .pdb file with VMD).
Describe the action of generate.inp and generate_template.inp

2) 
Run sa.inp
This should result in 10 structures. 

3) 
Run accept.inp and analyze the result. What does accept.inp do?

4) 
Visualize the structures in VMD. 


