From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Sun May 14 2017 - 22:20:14 CDT
Use keepFreeEnergyFiles:
http://colvars.github.io/colvars-refman-namd/colvars-refman-namd.html#x1-680006.3.1
On Sun, May 14, 2017 at 3:04 PM, The Cromicus Productions <
thecromicusproductions_at_gmail.com> wrote:
> Hi everyone,
>
> I have run a metadynamics simulation and would like to analyze its
> convergence.
> For this, one of the things I'd like to do is to compare the free energy
> profile from
> the first half of the simulation to the one from the second half. Is this
> possible and,
> if so, how can I do it? I only see the pmf for the total run.
>
> Regards,
>
> Sebastian
>
-- Giacomo Fiorin Associate Professor of Research, Temple University, Philadelphia, PA Contractor, National Institutes of Health, Bethesda, MD http://goo.gl/Q3TBQU https://github.com/giacomofiorin
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:18 CST