From: Aron Broom (broomsday_at_gmail.com)
Date: Mon Apr 29 2013 - 15:17:00 CDT
yeah you don't do the histogram thing. You just want the .colvars.traj
files.
On Mon, Apr 29, 2013 at 3:41 PM, Ada Zhan <zyqfrog10_at_msn.com> wrote:
> Hi there,
>
> I want to perform WHAM analysis on histogram files generated from umbrella
> sampling simulations.
>
> According to WHAM instructions, time series files contain the information
> of time and position that are recorded in the .traj files.
> Now I used 'histogram' function provided by colvars. How do I use these
> histogram .dat files for WHAM use? Do they serve as time series files also?
> Or we use them somewhere differently? If we put them in the field of time
> series files, how would WHAM process them since the meaning of the provided
> information is totally changed?
>
> Thanks!
>
> Best regards,
> Ada
>
-- Aron Broom M.Sc PhD Student Department of Chemistry University of Waterloo
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