Subject: no. of steps exceeded

From: Vlad Cojocaru <Vlad.Cojocaru-.at.-mpi-bpc.mpg.de>
Date: Tue, 07 Sep 2004 11:24:33 +0200

Dear CCLers,
    I appreciate a lot your promt replies to my email that I sent 
yesterday. The problem is indeed that the no. of steps was exceeded. Now 
I want to ask you how is the best to get around this: to restart the opt 
> from where it stopped (using geom=allcheck and guess=read) or to rerun 
the whole opt using maxcycle=N? And second, gaussian gives me the 
following: "Number of steps in this run= 102 maximum allowed number of 
steps= 114". Does this mean that my maxcycle cannot be more than 114?? 
Could somebody help me on this?

Te error:
"Optimization stopped.
    -- Number of steps exceeded,  NStep= 102
    -- Flag reset to prevent archiving."

Thank you in advance
vlad

-- 
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