[gmx-users] time-block analysis
karami.leila1 at gmail.com
Wed Oct 31 15:51:03 CET 2012
Thanks for your quick reply.
You did not answer me (is block averaging good way for investigation of the
Based on your example (histogram of the distribution of a dihedral angle),
if I want to investigate convergence of RMSD, Figure 1 is RMSD vs time. But
I dont know about Figure S1. what parameter vs what parameter (RMSD vs
what)? Please describe more.
If the value of [rms (quantity)/quantity] be less than 10 exp (-3), can I
use that as convergence criterion? (for example, quantity= potential energy)
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