AMBER Archive (2004)

Subject: AMBER: antechamber

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Tue May 04 2004 - 21:49:28 CDT

Dear all,

When I used antechamber for some small organic molecule, for example,

antechamber -i fpph.esp.log -fi gout -o fpph.mol2 -fo mol2 -c resp

It gave me the following warning message:

Cannot successfully assign bond type for this molecule, please :
(1) double check the structure (the connectivity) and/or
(2) adjust atom valence penalty parameters in APS.DAT, and/or
(3) increase MAXVASTATE in define.h and recompile bondtype.C

However, I loaded fpph.mol2 into tleap and checked it, it appeared to be
fine. Can anyone tell me what might cause the above warnings? Thanks in
advance.

Regards,

Guanglei
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