[gmx-users] Current status of CMAP
jw685 at cornell.edu
Fri Aug 7 16:34:33 CEST 2009
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.
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