Author: Dave Case
Date: 10/28/91
Program: Sander
Problem: Spectrometer frequency was converted to internal units
incorrectly. This will affect the calculation of NOESY
intensities. The effect may be small for systems in
which the zero-frequency terms dominate the relaxation.
Fix: One-line change in src/sander/calrate.f:
original line:
omega2 = pi2*omega*omega*1.e-6
corrected version:
omega2 = (pi2*omega*1.e-3)**2