RE: Tcl issue with config script

From: Kristopher Opron (
Date: Fri Jun 17 2011 - 15:40:31 CDT

Thank you Cristhian, that solved my scripting issue.




From: [] On Behalf
Of Cristhian Boetsch
Sent: Friday, June 17, 2011 11:13 AM
Subject: Re: namd-l: Tcl issue with config script


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 <>

Hi everyone,

I am encountering this error upon running my config script for gradual

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.


Mic. Cristhian Boetsch
Universidad Nacional de Río Cuarto
Río Cuarto - Argentina
Cel.: 0358-154361332

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