Re: Metadynamics: writeHillsTrajectory

From: Chola Regmi (cholaregmi_at_gmail.com)
Date: Thu Jul 30 2015 - 16:48:15 CDT

I am sorry I just copied the line from manual so "$" sign appeared in my
email.

According to manual it should write " *outputName*.colvars.<name>.hills.traj"
file. But I found only outfile name as
".colvars.<name>.hills.traj" which is empty.

Chola

On Thu, Jul 30, 2015 at 5:37 PM, Chola Regmi <cholaregmi_at_gmail.com> wrote:

> Dear all,
> I am using "NAMD _CVS-2015-04-24 _Linux-x86_64-multicore-CUDA" to run
> metadynamics. writeHillsTrajectory is 'on' by default. According to manual
> it should write " *outputName*.colvars.*[image: $ <$]* name*[image: $ >$]*
> .hills.traj" file. But I found only outfile name as
> ".colvars.*[image: $ <$]* name*[image: $ >$]* .hills.traj" which is empty.
> Here is the part of metadynamics code I used
>
> colvarsTrajFrequency 100
> colvarsRestartFrequency 10000
>
> metadynamics {
> name meta
> colvars r
> hillWeight 0.1
> dumpFreeEnergyFile on
> newHillFrequency 100
> writeHillsTrajectory on
> }
>
> Thank you.
> Chola
>

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