AMBER Archive (2006)

Subject: AMBER: Cannot successfully assign bond type for this molecule?

From: snoze pa (snoze.pa_at_gmail.com)
Date: Wed Feb 01 2006 - 14:43:53 CST


Hi, I am getting following error message when running antechamber
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

any solution?
thanks in advance

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