segmentation fault with NAMDenergy

Date: Thu Apr 19 2012 - 10:19:55 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 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
    (procedure "namdmain" line 76)
    invoked from within
    (in namespace inscope "::namdEnergy" script line 19)
    invoked from within
"::namespace inscope ::namdEnergy {
      mol top $currentMol
      variable sel1
      variable sel2
      variable nsel
      set energy ""
    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.

सूक्ष्मजीव प्रौद्योगिकी संस्थान (वैज्ञानिक औद्योगिक अनुसंधान परिषद)
Institute of Microbial Technology (A CONSTITUENT ESTABLISHMENT OF CSIR)
सैक्टर 39 ए, चण्डीगढ़ / Sector 39-A, Chandigarh
पिन कोड/PIN CODE :160036
दूरभाष/EPABX :0172 6665 201-202

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