Re: Is it a bug? TCL Script may Lead to Overflow

From: Fred (Rui FENG) (fengruifree_at_gmail.com)
Date: Sat Nov 07 2009 - 15:31:29 CST

Hi Axel,

Maybe the attachments exceed the size limit? I compressed them and
hope everyone could get it. Thanks.

Regards,
Fred

On Sat, Nov 7, 2009 at 3:47 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
> On Sat, 2009-11-07 at 15:01 -0500, Fred (Rui FENG) wrote:
>> Hi All,
>>
>> The modified Controller.C and apoa1.namd are attached. Please backup
>> the original Controller.C and replace it with the new one. The change
>> is only at the line 1073 to 1075. Thanks.
>
> fred,
>
> there are no attachments...
>
> axel.
>
>>
>> Regards,
>> Fred
>>
>> On Sat, Nov 7, 2009 at 4:09 AM, Fred (Rui FENG) <fengruifree_at_gmail.com> wrote:
>> > Hi All,
>> >
>> > I found that if TCL script lines are more than a certain value (maybe
>> > 35 to 40) in the parameter file, some variables will overflow and
>> > impact the variable (at least) called "zeroMomentumAlt". For example,
>> > the code below is to add a gradient force. To reproduce this error,
>> > just append the code below to the popular ApoA1 parameter file which
>> > can be download here:
>> > http://www.ks.uiuc.edu/Research/namd/utilities/apoa1/apoa1.namd
>> >
>> > The variable "zeroMomentumAlt" is only set in SimParameters.C and
>> > referenced by Sequencer.C.  Its value can be printed in Controller.C
> --
> Dr. Axel Kohlmeyer  akohlmey_at_gmail.com
> Institute for Computational Molecular Science
> College of Science and Technology
> Temple University, Philadelphia PA, USA.
>
>


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