From: Ayþe Özlem Sezerman (asezerman_at_su.sabanciuniv.edu)
Date: Fri May 26 2006 - 08:46:02 CDT
Hi ,
I am trying to calculate specific heats for my simullations. I have VMD
1.8.4 version for windows.
And I exactly perform what is written on page 49 in NAMD tutorial. There
it is written to use NAMD energy plugin first.
But a message comes out saying "cannot find namd2 would you like to
specify it path" I specify its path . and another application error
message displays as follows;
Error;
abnormal program termination
abnormal program termination
while executing
"exec $namdcmd ${jobname}-temp.namd > ${jobname}-temp.log"
(procedure "namdrun" line 41)
invoked from within
"namdrun"
(procedure "namdmain" line 46)
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)
What could be the problem? Does anyone have an idea??
Thanks for your time and help!!
Regards,
Ozlem
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