Re: mail about error in configuration files

From: Brian Radak (brian.radak_at_gmail.com)
Date: Mon Mar 25 2019 - 14:53:39 CDT

Is there a reason you are not able to obtain a Tcl-enabled executable? The
code is almost exclusively tested with that feature enabled and we would be
rather concerned to learn of an architecture that is incompatible with it.

On Mon, Mar 25, 2019 at 1:05 PM Vermaas, Joshua <Joshua.Vermaas_at_nrel.gov>
wrote:

> Read the user guide. You can't use standard tcl commands (like if
> statements) or any interface tcl provides to NAMD (
> http://www.ks.uiuc.edu/Research/namd/2.13/ug/node9.html#SECTION00052200000000000000),
> but you can do things like ask for minimization (
> http://www.ks.uiuc.edu/Research/namd/2.13/ug/node34.html
> <http://www.ks.uiuc.edu/Research/namd/2.13/ug/node34.html)>) along with
> setting numsteps (http://www.ks.uiuc.edu/Research/namd/2.13/ug/node35.html
> ).
>
> -Josh
>
>
>
> On 2019-03-25 08:05:40-06:00 owner-namd-l_at_ks.uiuc.edu 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
> ERROR: if
>
> How to do minimization without tcl support
>
>
> With High regards
> S.VIDHYASANKAR
>
>
>
>
>
>

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