[gmx-users] calculation of chemical shift anisotropy

Moutusi Manna mou2c_21 at yahoo.co.in
Tue Dec 22 13:18:49 CET 2009

Dear all,

have simulated a small peptide on lipid-water interface under NPT
condition. Is it possible to calculate the chemical shift anisotropy of
the peptide from the simulation trajectory?

Moutusi Manna

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