[gmx-users] Using g_covar to calculate an average structure from a trajectory

Arneh Babakhani ababakha at mccammon.ucsd.edu
Sat Aug 25 23:03:29 CEST 2007

Hi , 

I'd like to use g_covar to calculate the average structure of a 
trajectory.  But at the moment, I'm not interested in any of the eig. 
value/vector data (which takes a considerable amount of time to 

Was wondering: Is there a way to suppress the eig. value/vector/covar 
matrix calculations when using g_covar, and only use it to calculate the 
average structure?  Or, is there another tool/method for calculating 
average structures from trajectories?



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