#!/bin/bash #title Sorted Frenkel, Standard Prefactor (with RMSD) #tag frenkel_testing #tag hk_prefactor_maslov #tag manolopoulos #tag mc_generate_frenkel #tag mc_generate_metrop #tag morse #tag hess_normal ~/research/src_trunk/utils/quicktest.py -p frenkel_s0 -b modified_frenkel -o mod_frenkel_rmsd.data # this is run against r162 (although it has probably been a few revisions # since quicktest.py was modified.) #blog

This is, in a way, a repeat of the plots from May 19 of #blog a similar name.

#blog

By using the RMSD instead of the standard deviation, I think we #blog account for any unfairness in the comparison due to sorting.

#caption{rmsd_t050.png} RMSD at time 5 #caption{rmsd_t100.png} RMSD at time 10 #caption{rmsd_t150.png} RMSD at time 15 #caption{rmsd_t200.png} RMSD at time 20 #caption{rmsd_t250.png} RMSD at time 25 gnuplot term_fig.gnuplot rmsd_times.gnuplot #caption{convergence.gif} Movie showing how the error bars and averages #caption converge. This is just over the first 40k trajectories (it gets #caption pretty boring, visually, after that). gnuplot term_mov.gnuplot convergence.gnuplot # note: all of the PNGs can also be made for the presentation by using # term_preso instead. researchblog.py plotting.job