From: Anurag Sharma (Anurag.Sharma_at_my.ndsu.edu)
Date: Mon Mar 25 2013 - 13:05:00 CDT
Dear NAMD users,
I work with NAMD 2.9 on a Window7 platform and have used it for MD simulations. Upon using the NAMD Energy to measure the interaction. I clicked the "Run NAMDEnergy" and got a message that:
"Program not found
Could not locate 'namd2'
Description: NAMD 2.x Molecular Dynamics Engine
Would you like to specify its path?"
If I do not specify the namd file I get "Error: couldn't execute "": no
such file or directory"
When I do specify the namd2.exe file in \NAMD_2.9\, I get an error
"Error: Processor 0 exiting: Called Cmi Abort
Reason: FATAL ERROR: UNABLE TO OPEN .psf FILE I:��ResearchSnapshots and datasnapshots and dataSnapshotsfilename?pcl rial_8Energyfilename.psf
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 24)
invoked from within
"tk::ButtonUp .namdenergy.gobutton"
(command bound to event)"
What should I do?
Thanks for the help
Anurag
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