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[ESPResSo-users] Fwd: Problem in main.tcl script

From: Monika Choudhary
Subject: [ESPResSo-users] Fwd: Problem in main.tcl script
Date: Fri, 13 Oct 2017 11:27:36 +0530

---------- Forwarded message ----------
From: Monika Choudhary <address@hidden>
Date: Thu, Oct 12, 2017 at 3:08 PM
Subject: Re: [ESPResSo-users] Problem in main.tcl script
To: Henri Menke <address@hidden>

Thank you Henri
It is working well now.

But now I am stuck with a new problem.

As after running main.tcl simplebilayer.tcl
There is a new directory called simplebilayer.

As mentioned in the user manual(ug.pdf)
In order to visualize your data you need to use the command

vmd -e vmd_animation.script
I was trying to do the same.

But it is showing no molecule found.
I don't know what went wrong.


On Thu, Oct 12, 2017 at 1:49 PM, Henri Menke <address@hidden> wrote:
Hi Monika,

To access the box length which is stored in the core you have to use

puts $out "[setmd box_l]"

Please note, that the upcoming release of ESPResSo will have a much easier to use Python interface.  Maybe you want to have a look.

Cheers, Henri

On 12 October 2017 at 07:41, Monika Choudhary <address@hidden> wrote:

I was trying to follow the instructions mentioned in the Espresso user manual(ug.pdf)
In section 15.2 it is mentoned that in order to get simplebilayer as intial configuration we need to run the following command

$ESPRESSO_SOURCE/$PLATFORM/Espresso scripts/main.tcl simplebilayer.tcl

But while running this command I am getting this error

"box_l not defined" line 265 main.tcl

Moreover I tried to lookup for related queries 

and found this --" Replace  'puts $out $box_l' " to " $blockfile $out write variable box_l"

Any help is appreciated.


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