[gmx-users] CMAP and Free Energy

[Mark Abraham]

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
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>