Re: Feature request for the colvars module -- TCL syntax

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Mon Jan 17 2011 - 11:52:23 CST

Dear Ajasja,

The colvars configuration file is parsed using completely distinct
code from that of NAMD. Using a Tcl interpreter would require
considerable work. I don't know what you are trying to achieve, but if
the config file is too complex to be written by hand, maybe you can
write a separate script to generate it?

In addition, I think the Tcl template system that you linked to could
be used within the NAMD script to generate the colvars config
on-the-fly.

We might have other suggestions if you tell us more about what you
would like to automate.

Best,
Jerome

2011/1/17 Ajasja Ljubetič <ajasja.ljubetic_at_gmail.com>:
> Dear NAMD developers,
> I would love to use the TCL syntax also in the colvars configuration
> module Colvars module configuration file. Are there any plans to add this
> feature?
> I don't know how much effort would be required, but perhaps this could be
> used as a starting point?
> Best regards,
> Ajasja Ljubetič,
> Young reasercher,
> Laboratory of biophysics,
> Institute Jožef Štefan,
> Ljubljana, Slovenia
>

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