AMBER Archive (2006)

Subject: AMBER: "atom number exceeds the MAXATOM"

From: BAUVAIS_at_itodys.jussieu.fr
Date: Wed May 17 2006 - 00:54:24 CDT

Dear amber users:

I am trying to prepare prepi file with antechamber from gaussian output file,
antechamber -fi gout -fo prepi -i ligand.log -o ligand.prepi -c resp -nc 4

but I got this message:
Info: the atom number exceeds the MAXATOM, reallocate memory automatically
Info: the bond number exceeds MAXBOND, reallocate memory automatically
Info: the atom number exceeds the MAXATOM, reallocate memory automatically
Info: the atom number exceeds the MAXATOM, reallocate memory automatically
Info: the number of the ESP exceeds the MAXESP(20000),extend the size and
reallocate the memory automatically
Info: the number of the ESP exceeds the MAXESP(30000),extend the size and
reallocate the memory automatically

but when I check the ligand.prepi file prepared by antechamber after this
warning, it seems no problem,
does this mean I can totally negelect the warning?

Thank you in advance for any help

---------------------------------------------
Bauvais Cyril
Doctorant en Chimie Informatique et Theorique
ITODYS
1, rue Guy de la Brosse
75005 - Paris
00(33)1-44.27.68.21
bauvais_at_itodys.jussieu.fr
---------------------------------------------

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