From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat Nov 07 2009 - 14:47:08 CST
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.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:27 CST