AMBER Archive (2007)

Subject: Re: AMBER: Problem with PCSHIFT module

From: Edoardo Saccenti (saccenti_at_cerm.unifi.it)
Date: Thu Apr 12 2007 - 07:40:55 CDT

Hi Amber folks!
After a painful fight w\ the amber PCS module I did success in making it
start.

Anyway I'm still having problems 'cause my calculation stops with the
following:

                VIOLATIONS 15 RESIDUALS 0.15282
                VIOLATIONS 14 RESIDUALS 0.15282
                VIOLATIONS 14 RESIDUALS 0.15282
                VIOLATIONS 15 RESIDUALS 0.15282

     .... RESTARTED DUE TO LINMIN FAILURE ...

     ***** REPEATED LINMIN FAILURE *****

                    FINAL RESULTS

any idea?

Many thanks
edo

> > 

-- 
************************
Dott. Edoardo Saccenti
CERM - Magnetic Resonance Center
University of Florence
Via Luigi Sacconi, 6
50019 Sesto Fiorentino (Florence) - Italy
tel. +39055 4574281 -
e-mail: saccenti_at_cerm.unifi.it
web   : http://www.cerm.unifi.it

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