From: amin_at_imtech.res.in
Date: Thu Apr 19 2012 - 20:12:53 CDT

Dear all,
        I ran a short GBIS simulation of a protein ligand complex as described
in the Linear Interaction Energy Tutorial by John E.Kerrigan. Everything
went fine but I am not able to get the VDW and Elec energies using NAMD
energy plugin. I have tried for both just the ligand and the complex but I
keep getting "Error:child killed:segmentation violation". The details of
the error are

child killed: segmentation violation
child killed: segmentation violation
    while executing
"exec $namdcmd ${jobname}-temp.namd > ${jobname}-temp.log"
    (procedure "namdrun" line 56)
    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 22)
    invoked from within
"tk::ButtonUp .namdenergy.gobutton"
    (command bound to event)

Can someone please help with this.
Thanks.

______________________________________________________________________
рд╕реВрдХреНрд╖реНрдордЬреАрд╡ рдкреНрд░реМрджреНрдпреЛрдЧрд┐рдХреА рд╕рдВрд╕реНрдерд╛рди (рд╡реИрдЬреНрдЮрд╛рдирд┐рдХ рдФрджреНрдпреЛрдЧрд┐рдХ рдЕрдиреБрд╕рдВрдзрд╛рди рдкрд░рд┐рд╖рдж)
Institute of Microbial Technology (A CONSTITUENT ESTABLISHMENT OF CSIR)
рд╕реИрдХреНрдЯрд░ 39 рдП, рдЪрдгреНрдбреАрдЧрдврд╝ / Sector 39-A, Chandigarh
рдкрд┐рди рдХреЛрдб/PIN CODE :160036
рджреВрд░рднрд╛рд╖/EPABX :0172 6665 201-202

______________________________________________________________________
рд╕реВрдХреНрд╖реНрдордЬреАрд╡ рдкреНрд░реМрджреНрдпреЛрдЧрд┐рдХреА рд╕рдВрд╕реНрдерд╛рди (рд╡реИрдЬреНрдЮрд╛рдирд┐рдХ рдФрджреНрдпреЛрдЧрд┐рдХ рдЕрдиреБрд╕рдВрдзрд╛рди рдкрд░рд┐рд╖рдж)
Institute of Microbial Technology (A CONSTITUENT ESTABLISHMENT OF CSIR)
рд╕реИрдХреНрдЯрд░ 39 рдП, рдЪрдгреНрдбреАрдЧрдврд╝ / Sector 39-A, Chandigarh
рдкрд┐рди рдХреЛрдб/PIN CODE :160036
рджреВрд░рднрд╛рд╖/EPABX :0172 6665 201-202