r22965 - /trunk/lib/dispersion/b14.py -- May 05, 2014 - 20:18

Author: tlinnet
Date: Mon May  5 20:18:19 2014
New Revision: 22965

URL: http://svn.gna.org/viewcvs/relax?rev=22965&view=rev
Log:
Altered the sign of g1, to follow CR72 Nomenclature.

sr #3154: (https://gna.org/support/?3154) Implementation of Baldwin (2014) 
B14 model - 2-site exact solution model for all time scales.

This follows the tutorial for adding relaxation dispersion models at:
http://wiki.nmr-relax.com/Tutorial_for_adding_relaxation_dispersion_models_to_relax#Debugging

Modified:
    trunk/lib/dispersion/b14.py

Modified: trunk/lib/dispersion/b14.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/lib/dispersion/b14.py?rev=22965&r1=22964&r2=22965&view=diff
==============================================================================
--- trunk/lib/dispersion/b14.py (original)
+++ trunk/lib/dispersion/b14.py Mon May  5 20:18:19 2014
@@ -148,7 +148,7 @@
 
     #########################################################################
     #get the real and imaginary components of the exchange induced shift
-    g1=2*dw*(deltaR2+keg-kge)                   #same as carver richards zeta
+    g1=2*dw*(r20a-r20b+kge-keg)                   #same as carver richards 
zeta
     g2=(deltaR2+keg-kge)**2+4*keg*kge-dw**2   #same as carver richards psi
     g3=1/sqrt(2)*sqrt(g2+sqrt(g1**2+g2**2))   #trig faster than square roots
     g4=1/sqrt(2)*sqrt(-g2+sqrt(g1**2+g2**2))   #trig faster than square roots
@@ -160,7 +160,7 @@
     f2=(dw**2-g4**2)/(NNc)              #f2
     #t1=(-dw+g4)*(complex(-dw,-g3))/(NNc) #t1
     t2=(dw+g4)*(complex(dw,-g3))/(NNc) #t2
-    t1pt2=complex(2*dw**2,-g1)/(NNc)     #t1+t2
+    t1pt2=complex(2*dw**2,g1)/(NNc)     #t1+t2
     oGt2=complex((deltaR2+keg-kge-g3),(dw-g4))*t2  #-2*oG*t2
     Rpre=(r20a+r20b+kex)/2.0   #-1/Trel*log(LpreDyn)
     E0= 2.0*tcp*g3  #derived from relaxation       #E0=-2.0*tcp*(f00R-f11R)