Re: Fatal Error in NAMD

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Thu Mar 30 2017 - 12:20:26 CDT

Hi, please read the first line of the error message:
"TCL: run called with minimization enabled; use minimize command instead

On Thu, Mar 30, 2017 at 1:14 PM, Faramarz Joodaki <fjoodaki_at_my.uri.edu>
wrote:

> Dear Users,
>
> I am trying to run a MD simulation after 10000 steps minimization. After
> the minimization is finished perfectly, exactly before MD simulation,
> unfortunately, I faced this below error:
>
> "TCL: run called with minimization enabled; use minimize command instead
> FATAL ERROR: run called with minimization enabled; use minimize command
> instead
> while executing
> "run 100000"
> (file "ty.conf" line 111)
> ------------- Processor 0 Exiting: Called CmiAbort ------------
> Reason: FATAL ERROR: run called with minimization enabled; use minimize
> command instead
> while executing
> "run 100000"
> (file "ty.conf" line 111)
>
> Charm++ fatal error:
> FATAL ERROR: run called with minimization enabled; use minimize command
> instead
> while executing
> "run 100000"
> (file "ty.conf" line 111)"
>
> The minimization and run part of my configuration file is:
>
> minimization on
> minimize 10000
> run 50000
>
> I would be so grateful if you could guide me with this matter.
>
> Best Regards,
> Faramarz
>
>

-- 
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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