valsson-group / time-from-biased-simulations-tools

Simple tools for obtaining time from biased molecular dynamics simulations

Time from biased simulations tools

Tools for obtaining time from biased molecular dynamics simulations.

Python Scripts

• acceleration.py: to obtain rescaled time and acceleration factor from PLUMED colvar file.
• KS_test.py: To perform p-value KS test on the obtained times.

Authors

• Olga Rogacheva, Saint Petersburg State University, Russia
• Omar Valsson, University of North Texas