Re: namd 6-1- abf

From: Jim Phillips (jim_at_ks.uiuc.edu)
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".

-Jim

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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