RE: mail about error in configuration files

From: Vermaas, Joshua (
Date: Mon Mar 25 2019 - 12:03:53 CDT

Read the user guide. You can't use standard tcl commands (like if statements) or any interface tcl provides to NAMD (, but you can do things like ask for minimization (>) along with setting numsteps (


On 2019-03-25 08:05:40-06:00 wrote:

Dear namd users than you for previous reply
                              I want to include the following stepl in my namd configuration file
My configuration files contain the following lines for minimization
# Minimization
if {1} {
minimize 30000
reinitvels 200

I goth the following error because my namd compiled without tcl support

ERROR: configuration file but are NOT VALID
ERROR: run
ERROR: reinitvels
ERROR: minimize
ERROR: set

How to do minimization without tcl support

With High regards

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