Re: [gmx-users] Reference structure for g_covar

Hi Vivek, I explained related matters in some detail on this list earlier, and would urge not to use a structure other than the average for determining the components. The results on the cosine contents can be illustrated as follows: I. Using average Imagine you're moving from place A to place

[gmx-users] Reference structure for g_covar

Hi, I am doing Essential Dynamics on a protein (150 residues). The simulation is 100ns long and the RMSD becomes very stable after 25ns. I have gone through the mailing list archives but could not find a precise answer to the following question. When I calculate the cosine content for the first P