From: Riley Workman (workmanr_at_duq.edu)
Date: Mon Jan 28 2013 - 12:18:48 CST
I am a graduate student at Duquesne University using NAMD to run metadynamics simulations on polypeptides. My question is, when a metadynamics simulation is restarted, does the new .pmf file carry over the free energy data from the last simulation? Will the resulting .pmf from the restarted simulation contain all of the results from the initial simulation? I am including the colvarsInput restart file in my configuration file.
Thanks for the help!
This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:20:53 CST