From: Faramarz Joodaki (fjoodaki_at_my.uri.edu)
Date: Thu Mar 30 2017 - 12:54:13 CDT
Dear Giacomo,
I removed the "minimization on" and it worked. It is interesting that by
using the older version of NAMD(2.11), I had not faced this error!!
Thank you!
Best Regards,
Faramarz
On Thu, Mar 30, 2017 at 1:24 PM, Faramarz Joodaki <fjoodaki_at_my.uri.edu>
wrote:
> 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
>
>
This archive was generated by hypermail 2.1.6 : Sun Dec 31 2017 - 23:21:11 CST