[gmx-users] Current status of CMAP

Jakob Wohlert jw685 at cornell.edu
Fri Aug 7 16:34:33 CEST 2009

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.

Best regards,
Jakob Wohlert

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