[gmx-users] How to get the rotational correlation time of the non-equilibrium simulation

Yanmei Song ysong30 at asu.edu
Wed Jul 22 01:12:42 CEST 2009


Dear Users:

I am wondering how I can get rotation correlation time of non-equilibrium
simulation? is there any command letting me do that? Or I have to do it
manually?

My second question is : if Gromacs can calculate the standard error by using
the blocking average method and how?

Thanks for your help in advance!
-- 
Yanmei Song
Ph.D. Candidate
Department of Chemical Engineering
Arizona State University
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