[Xplor-nih] Query regarding RDC potential functions

[Arun Prasad]

Hello everybody,

I am looking for some potential function that include both the traditional
molecular mechanic forcefiled plus potentials that include NMR restraints
(RDC information). I am trying to generate library of peptide fragments
using a sampling technique with ECEPP forcefield. Do anyone know any
potential energy function incorporating the RDC information which can be
easily mixed with the existing molecular mechanics forcefield?? The aim is
the generate library of fragments that agrees with the experimental data.

Hope to hear from you.

Thank you in advance.

with best regards,
Arun Prasad
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