[gmx-users] Using g_covar to calculate an average structure from a trajectory
ababakha at mccammon.ucsd.edu
Sat Aug 25 23:03:29 CEST 2007
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?
More information about the gromacs.org_gmx-users