Re: [gmx-users] autocorrelation time of dVpot/dlambda?

Hi Michael: Thanks for the reply! I did the following command: g_analyze -f energy.xvg -ac out.xvg and in out.xvg I saw the following lines, it seems like a autocorrelation decrease over time. Does that mean the autocorrelation time here is infinite? Thanks Steve # This file was cre

[gmx-users] autocorrelation time of dVpot/dlambda?

Hi All: I am doing free energy calculation in Gromacs and want to get an error estimate of my results. Is it possible to compute the autocorrelation time of dVpot/dlambda in Gromacs using a certain length of trajectory such as 10 ns? Thanks a lot Steve Zhu Biochem@UI -- gmx-users mailing list