[gmx-users] calculate RDC from MD trajectory

Gurunath Katagi gurunath.katagi at gmail.com
Sat Oct 27 00:25:53 CEST 2012

Dear all,
I want to compare the RDC data from MD simulation of a protein with those
derived from RDC.
I was wondering whether there is any program or implementation for
calculation  of  RDC in gromacs..
There have been studies which have computed RDC from md simulation
trajectories, for example, .
http://spin.magnet.fsu.edu/pubs/showalter_bruschweiler_JACS_2007.pdf and

Kindly let me know, any function in gromacs or external program which can
do that ...

Thank you

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