Re: ABF question

From: Jérôme Hénin (
Date: Tue May 25 2010 - 10:35:52 CDT

Hi Arturas,

> ABF tutorials does not use 'oneSiteSystemForce', while manual tells that it should be used with ABF and I would be doing it. Maybe by 'abf' declarations it is set by default ...  Could someone clarify ?

This is a bit technical. That option is never needed in simple cases
(one variable made of one component). It is only needed when building
specific combinations of colvar components, or running
multidimensional ABF on specific sets of colvars, when these are
defined based on sets of atoms that overlap. In any other case, you
don't have to worry about it.

> Are there more examples of ABF  with NAMD 2.7x apart tutorial ?

There have been a few discussions on this list involving examples, you
can search the archive for them. If you need help achieving something
specific, we can discuss it on the list, which will increase the
number of documented examples.


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