[gmx-users] Current status of CMAP

Jakob Wohlert jw685 at cornell.edu
Sat Aug 8 17:20:55 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).
> Mark

Ok, thanks. I'll do that!


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