[gmx-users] Current status of CMAP
Mark.Abraham at anu.edu.au
Sat Aug 8 02:11:21 CEST 2009
Jakob Wohlert wrote:
> Hi all,
> I know this has been up on the list before, but I haven't been able to
> get some definite answer - What's the current status of the
> implementation of CHARMM-type CMAPs? I note that people (especially P.
> Bjelkmar as it seems) have done a great job implementing the other
> peculiarities of the CHARMM force fields, but it's still that final
> piece missing. There are several references to CMAP in the source code,
> but I guess it's not fully implemented yet. I just wonder if it will be
> ready anytime soon?
> I would be glad to help anyway I can, at least by doing some testing.
You might be best served emailing Par, who I don't think subscribes to
this list. We had a useful discussion on what I thought was a problem
with the CHARMM implementation a little while back (it wasn't a problem).
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