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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