RDC coefficiets

Dear

I am a new user of xplor-nih.1.2.1. I am working on a globular protein and
I would like to define its global fold using only RDC restraints starting
from a model builded by homology modeling.  I have a problem about the
values of the dipolar coupling coefficients in sani part. Do they refer to
Da and Dr (the axial and rhombic components, respectively, of the
molecular alignment tensor) or to Da and R (axial and rhombicity (defined
as Dr/Da) ?

 Thank you in advance for your time

             with best regards,

				Beppe

___________________________________________________________

Giuseppe Nicastro, PhD
C.I.M. Centro Interfacolta' Misure
Universita' degli Studi di Parma
Viale delle Scienze
43100-Parma, ITALY
phone: (++39)-521-905129
e-mail: beppe <at> unipr.it

___________________________________________________________

xplor-nih_2.0.5/bin/xplor reports wrong version

Dear Sirs,

this is probably a minor bug, but after running: 
xplor-nih_2.0.5/bin/xplor

I've got:

XPLOR-NIH version 2.0.4

Hope it helps.

Darek Kedra
--

-- 
Darek Kedra MD PhD 
The Burnham Institute                   ph: +858-646-3100 ext.3915
Information Systems Department          fax: +858-646-3171
10901 North Torrey Pines Rd          e-mail: darked <at> burnham.org
La Jolla, CA 92037, USA 

NMR.CIT.NIH.GOV

Generalized Born module in Xplor-NIH

Hi,

I tried to use GB by xplor-nih version 2.0.5.

However, xplor-nih cannot read the NONBONDED parameter accurately. 
There are extra 2 column real numbers in NONBond parameter for 
Generalized Born calculation.

The xplor-nih will terminate the simulation during the reading the 
parameter set.

Is it Bug?

Nobuyuki Ota