From: Cristhian Boetsch (cristhian.boetsch_at_gmail.com)
Date: Fri Jun 17 2011 - 10:13:25 CDT
run 0 ;# I think you have defined langevinTemp
before, so you should make a run to redefine it
for {set TEMP 0} {$TEMP <=310} {incr TEMP 5} {
langevinTemp $TEMP
output heat.$TEMP
run 2000 ; #4ps
}
2011/6/17 <opronkri_at_msu.edu>
> Hi everyone,
>
> I am encountering this error upon running my config script for gradual
> heating:
>
> ERROR: Multiple definitions of 'langevinTemp'
> ERROR: in the configuration file are not allowed
>
> I am aware that this can mean Tcl is not properly set up however I tried
> the precompiled binary and compiled NAMD with Tcl myself with no luck. Here
> is the portion of my script which is causing the error:
>
> for {set TEMP 0} {$TEMP <=310} {incr TEMP 5} {
> langevinTemp $TEMP
> output heat.$TEMP
> run 2000 ; #4ps
>
> Is there something I can do to check if Tcl is working correctly? Or is
> there a better way to do the heating that avoids this scripting error?
>
> Thanks in advance for your help.
>
> Kris
>
-- Mic. Cristhian Boetsch Universidad Nacional de Río Cuarto Río Cuarto - Argentina Cel.: 0358-154361332
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