From: lily jin (lily1907_at_yahoo.com)
Date: Tue Oct 30 2007 - 12:34:43 CDT
Thank you Peter. I looked at the log file. I did make a mistake with input. it is working now. :)
Lily
----- Original Message ----
From: Peter Freddolino <petefred_at_ks.uiuc.edu>
To: lily jin <lily1907_at_yahoo.com>
Cc: VMD-L <vmd-l_at_ks.uiuc.edu>; NAMD-L <namd-l_at_ks.uiuc.edu>
Sent: Tuesday, October 30, 2007 10:20:16 AM
Subject: Re: namd-l: NAMDEnergy
Hi Lily,
there's probably something wrong with your input; you might want to have
a look at the
jobname-temp.log
file that was generated in your directory.
Peter
lily jin wrote:
> I used NAMD2.6 to minimized my structure for 5000timesteps then I got
> a dcd file. I loaded the dcd file and the psf file in VMD to plot the
> energies using NAMDEnergy. I got the error message as below. Could
> anyone give me an explain what might be wrong?
> Thank you!
>
> -----------Error message:
> abnormal program termination
> abnormal program termination
> while executing
> "exec $namdcmd ${jobname}-temp.namd > ${jobname}-temp.log"
> (procedure "namdrun" line 43)
> invoked from within
> "namdrun"
> (procedure "namdmain" line 76)
> invoked from within
> "namdmain"
> (in namespace inscope "::namdEnergy" script line 19)
> invoked from within
> "::namespace inscope ::namdEnergy {
> mol top $currentMol
> variable sel1
> variable sel2
> variable nsel
> set energy ""
> set..."
> invoked from within
> ".namdenergy.gobutton invoke"
> ("uplevel" body line 1)
> invoked from within
> "uplevel #0 [list $w invoke]"
> (procedure "tk::ButtonUp" line 24)
> invoked from within
> "tk::ButtonUp .namdenergy.gobutton
> "
> (command bound to event)
>
>
> *Lily*
>
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