[gmx-users] human readable input for g_covar

mdaf at sina.com mdaf at sina.com
Thu Oct 4 04:00:12 CEST 2007


Hi: 
I am involving in a project to analyse the vibrational spectrum of a peptide. i am trying to do covariance analysis with  the velocity data in a .trr file using g_covar, since it doesn't take velocity by default, my plan is to output that in a human readable file and swat that with the coordinate data, but the program wouldn't take human readable input either. it is there a easy way to translate the data back to .trr format or it is there a different way to do this task? 

many thanks 
regards 
Michael 


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