AMBER Archive (2004)

Subject: AMBER: RED fails to read g94 output

From: Vlad Cojocaru (Vlad.Cojocaru_at_mpi-bpc.mpg.de)
Date: Fri Aug 13 2004 - 05:35:20 CDT

Dear Ambers,
    I am dealing with RED for the first time and I would appreciate a
little help. I did manage to do an optimization (the question if
Opt=Tight and Conver=8 are required is still unanswered) but after the
optimization RED exited with the message below. I figured out that this
might be the same as the bug no.1 report so I changed the code
accordingly. Then i tried to run RED but only for the charge calculation
with optimizing again. I used the "JOB1-gau.log" file as minimization
output but RED exited saying that the minimization output is not valid.
This is a huge problem because I dont want to do the optimization again.
Did someboday experience this problems before? If yes could somebody
help me with this?
Thank you very much
vlad

 Problem with the distance matrix.
 Error termination via Lnk1e in /usr/local/g94/l202.exe.
 Job cpu time: 0 days 0 hours 0 minutes .1 seconds.
 File lengths (MBytes): RWF= 1 Int= 0 D2E= 0 Chk= 1 Scr= 1 

-- 
Vlad Cojocaru 
Max Planck Institute for Biophysical Chemistry 
Department: 060 
Am Fassberg 11, 37077 Goettingen, Germany 
tel: ++49-551-201.1327 
e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
home tel: ++49-551-9963204  

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