Re: Fatal Error in NAMD

From: Faramarz Joodaki (fjoodaki_at_my.uri.edu)
Date: Thu Mar 30 2017 - 12:24:20 CDT

Dear Giacomo,

Thank you for your response!
Actually, I should mention that I have run this configuration file in my computer, and it worked. But When I ran it on the new computer, I faced this error message.

Best Regards,
Faramarz

> On Mar 30, 2017, at 1:20 PM, Giacomo Fiorin <giacomo.fiorin_at_gmail.com> wrote:
>
> 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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