[gmx-users] CMAP and Free Energy

[francesco oteri]

Thank you so much!
I am gonna file a feature request


2013/2/27 Mark Abraham <mark.j.abraham at gmail.com>

> Unfortunately, there's lots of areas of complex software projects where the
> interaction of some new feature with some old feature is not of enough
> interest to the people who maintained/developed those features for them to
> put work into them. You can file a feature request at
> redmine.gromacs.orgso that people know there is some interest in it -
> but don't hold your
> breath waiting!
>
> Offhand, I can't think of a theoretical reason why that'd be a problem, but
> I'm an expert in neither FE calcs nor the details of CMAP :-)
>
> Mark
>
> On Wed, Feb 27, 2013 at 12:08 PM, francesco oteri <
> francesco.oteri at gmail.com
> > wrote:
>
> > Dear gromacs users,
> > can someone of you explain me why CMAP is not managed in  Free Energy?
> > I guess that the force derived by CMAP can be traited as any other force.
> > Is there any theoretical problem in doing:
> > CMAP(lambda) = (lambda)*CMAP +(1-lambda)*CMAP
> > ?
> >
> > Francesco
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-- 
Cordiali saluti, Dr.Oteri Francesco