From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Sat Sep 30 2017 - 12:32:26 CDT
Hello Hong, I am in the process of reorganizing how files are written,
which is needed since both NAMD and Colvars are now much more scripted than
they used to be. The files you refer to are still written using the same
convention at the end of the run, just not every restartFreq: sorry for the
omission. I'll restore the behavior so that the frequency will track
restartFreq again in the next update.
In the meantime, you can always write all Colvars output files by using the
command:
cv save [outputName]
at any point during the simulation. (You can change the prefix as well, of
course).
Giacomo
On Fri, Sep 29, 2017 at 10:38 PM, yjcoshc <yjcoshc_at_gmail.com> wrote:
> Hello,
>
> I used NAMD 2.12 to perform metadynamics and turned
> keepFreeEnergyFiles on. The pmf was written to disk every
> colvarsRestartFrequency steps. But when I used NAMD_Git-2017-09-25 and the
> latest colvars code(from git and update-colvars-code.sh), the pmf wasn't
> written to disk every colvarsRestartFrequency steps and only the last pmf
> was written. How can I restore the old behavior of NAMD 2.12?
>
> Thanks,
>
> yjcoshc
>
>
-- 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
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