[gmx-users] scalar correlation matrix

Hello, everyone, Do anybody knows how to calculate the scalar correlation matrix across the alpha carbon atoms, where the correlation function is defined as: Cij=delta_ri*delta_rj/squart(delta_ri^2delta_rj^2). Is there any direct command can do this in gromacs? Thanks. * *

Re: [gmx-users] scalar correlation matrix

Hi, Check out the modified g_covar version with correlations, which is on the user contributions. Ran. sheerychen wrote: Hello, everyone, Do anybody knows how to calculate the scalar correlation matrix across the alpha carbon atoms, where the correlation function is defined as: