[gmx-users] Replica Exchange Analysis Tools

Robert Johnson bobjohnson1981 at gmail.com
Tue Jan 16 17:54:33 CET 2007


Hello everyone,
I'm using the current development version of Gromacs to perform
replica exchange MD. Are there any Gromacs tools to aid in the
analysis of the trajectories. For example, are there tools that enable
trajectories grouped by temperature? Is there a way to determine the
temperature of a replica as a function of time?
Thanks,
Bob Johnson
PhD Student
University of Pennsylvania



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