[gmx-users] How to interpret the cosine content result?

a a patd_2 at hotmail.com
Thu Mar 8 11:32:03 CET 2012


Dear Gromacs experts, 
I did the following steps to calculate the cosine content for my MD simulation.  
> g_covar -s file.pdb -f dynamic.trr -o -v> g_anaeig -s file.pdb -f dynamic.trr -v eigvect.trr -proj> g_analyze -f proj.xvy -cc -n 8

After the final step, I got a file call "coscont.xvg", I found the following information in the file.
@    title "Cosine content"@    xaxis  label "set / half periods"@    yaxis  label "cosine content"@TYPE xy 1 0.00227537 2 0.00387509 3 0.00021574 4 0.00747283 5 0.0538567 6 0.00278513 7 0.00263389 8 0.00138043
Would you mind to instruct me how to draw a conclusion based on the result if my calculations has been converged?
Best regards,
Catherine 		 	   		   		 	   		   		 	   		  
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