AMBER: chemical shift restrains

From: Emilia Sikorska <>
Date: Tue, 26 Sep 2006 20:22:05 +0200 (CEST)

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
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Received on Wed Sep 27 2006 - 06:07:22 PDT
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