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
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Javier Perez
Chemistry Department
Universitat Autonoma de Barcelona
08193 Bellaterra (Barcelona)
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Received on Wed May 31 2006 - 00:11:58 PDT
