VMD-L Mailing List

From: virginia miguel (virgimiguel_at_yahoo.com.ar)
Date: Tue Jul 24 2007 - 13:18:37 CDT

hi everybody;
                   I am trying to calculate interactions energy of a tetrameric protein using NAMDEnergy plugin. I have already achive it for the wt protein and now I am trying to do it for a mutant, but the following message of error apears on screen:

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 70)
    invoked from within
"namdmain"
    (in namespace inscope "::namdEnergy" script line 18)
    invoked from within
"::namespace inscope ::namdEnergy {
      mol top $currentMol
      variable sel1
      variable sel2
      variable nsel
      set energy ""
      if ..."
    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)

I do not now if this could be due to that i have two dcd files for it or something els I do not realize of. I would appreciate If anyone can help with it

       
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