AMBER Archive (2006)

Subject: AMBER: problems with antechamber

From: JAVIER PEREZ (javier.perez_at_uab.es)
Date: Mon May 29 2006 - 10:04:52 CDT


Hello Amber users,
 
I am trying to study a system which contains 288 atoms using AMBER 8. After
calculating the charges using Gaussian 03, I wanted to create a prep file
using Antechamber. I summited the job writing the following:
 
antechamber -i file_gaussian.out -fi gout -o file_amber.prep -fo prepc -c
resp
 
In principle, the program should have worked properly and should have
generated the prep file I wanted.
 
However, the program gave me the following message:
 
 
The atom number exceeds the MAXATOM, reallocate memory
The bond number exceeds MAXBOND, reallocate memory
 
The atom number exceeds the MAXATOM, reallocate memory
 
Cannot open file ANTECHAMBER_AC.AC, exit
 
 
 
What is the maximum number of atoms we can use in these kind of
calculations?What can I do to solve this problem?
 
Any suggestion will be very welcome.
 
Javier Perez
 

 
******************************
Javier Perez
 
Chemistry Department
Universitat Autonoma de Barcelona
08193 Bellaterra (Barcelona)
 
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