it's probably best to contact the authors of the paper you describe and see
if they have more details available.
for another example of developing CMAP functions, you can see our preprint
on ff19SB
https://chemrxiv.org/articles/ff19SB_Amino-Acid_Specific_Protein_Backbone_Parameters_Trained_Against_Quantum_Mechanics_Energy_Surfaces_in_Solution/8279681
On Fri, Jun 21, 2019 at 1:41 AM ARITRA MITRA <aritra18.iitg.ac.in> wrote:
> Dear All,
>
> I wish to run MD on an IDP and came across literature on improving force
> field parameters particularly the phi-psi dihedral distribution using CMAP
> method. I wish to know in detail how this correction maps are
> constructed,all the mathematics and concepts involved and how to
> incorporate these changes into the already available force fields. Can
> anybody please cite me references or materials on the same?
>
> Thanks in advance.
>
>
> Regards,
>
> Aritra Mitra,
>
> c/o- Prof. Sandip Paul
>
> Junior Research Fellow,
>
> Department of Chemistry,
>
> IIT Guwahati.
>
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Received on Fri Jun 21 2019 - 07:30:02 PDT
