[gmx-users] NMR data from the trajectory

Oleg Katchanov oleg at drug.org.ru
Mon Apr 1 17:03:44 CEST 2002

    Dear GROMACS users & autors!

Could you tell me, how can I obtain from the molecular trajectory the 
NMR-parameters, such as T1, T2 - relaxation times, S^2 -parameter of the 
Is there in GROMACS any options/programs to obtain these data?

Thank you in advance!

Oleg Katchanov

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