Re: Metadynamics pmf restart

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Mon Jan 28 2013 - 14:43:56 CST

Yes.

On Mon, Jan 28, 2013 at 1:18 PM, Riley Workman <workmanr_at_duq.edu> wrote:

> Hello,
>
> 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!
>
> Best Regards,
> Riley Workman
>

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