AMBER Archive (2006)

Subject: AMBER: chemical shift restrains

From: Emilia Sikorska (milka_at_chem.univ.gda.pl)
Date: Tue Sep 26 2006 - 13:22:05 CDT

Dear AMBER Users
I want to use the chemical shifts restraints (proton and carbon) along
with time-averaged distance and angle constraints. Can I use chemical
shifts found in NMR spectra measured in DMSO or it is possible only for
aqueous solution? Is the &shf namelist similar to &pcshf one given as an
example in AMBER8 manual? I will be grateful for all information.

Thank your
Emila
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