From: amin_at_imtech.res.in
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
"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.
______________________________________________________________________
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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