From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Mon Mar 28 2011 - 08:37:36 CDT
>>Sure I am interested in an elegant solution too.
This is what I'm doing now:
In your namd.conf file you have to add
Then you set the colvars config file using
colvarsConfig [fill_template TEMPLATE_FILE_NAME OUT_FILE_NAME]
In the template all the variables defined in the namd conf file are
accessible and are automatically replaced (you have to prefix them with a $,
of course). You can also use flow control statements by prefiying the first
line with %.
The necessary files can be found here:
You can test the templating system from VMD (see test/do.test.tcl). Will try
also to make a working example with NAMD in the near future.
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2012 - 23:20:00 CST