[gmx-users] order parameters intra molecular vectors

Peter Fojan fp at bio.auc.dk
Wed Mar 6 15:41:57 CET 2002


Hi all,
did somebody ever try to calculate order parameters for intramolecular
vectors of a protein from an md trajectory in order to compare them with
NMR relaxation data?
Any help would be greatly appreciated.
best regards,
                    Peter




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