> Surprisingly I could get complete coordinates from g_covar v4.5.4 without > fitting, without being prompted to choose a group for the least squares fit. > However, g_covar is much slower than g_rmsf and I would avoid using it for > the whole trajectory if I could. > I don't expect o get an answer in my original question, but at least I realized that g_covar firstly calculates the average coordinates and saves them in a .pdb file and then proceeds to covariance matrix calculations. So if I can kill the program at that point and do my job faster than with g_rmsf ;)
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