Re: namd 6-1- abf

From: Jim Phillips (
Date: Mon Aug 22 2005 - 18:35:49 CDT

You need to source the abf files at the beginning of the script, before
you do any commands that cause computation like "run" or "minimize".


On Sun, 14 Aug 2005, michael atkinson wrote:

> Hi
> I saw in the new released version of NAMD, there exists a new facility called ABF in lib file. Has anybody work with that and know how to prepare the input files to build a model with that and what is the specific charactristics of this facility?
> As I studied the user guide for that, I tried to add a command "source lib/abf/abf.tcl in my configuration file, but I got the error " setting parameter tclforces from script failed".
> I think that something is missing for doing the simulation using this facility or it is required to consider specific preparation to do so.
> If anybody has information about that I will be very thankful for instructing me and if making any model, I 'll appreciate giving the missing or necessary files for that.
> Thank you very much
> Mike
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