AMBER Archive (2006)

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

From: David Case (case_at_scripps.edu)
Date: Wed Feb 01 2006 - 15:49:55 CST

On Wed, Feb 01, 2006, snoze pa wrote:

> 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?

Here's some good general advice:

Go to the amber web page, type "cannot successfully assign bond type"
in the search box there, click the button to search the mailing list archives.

Several of the top five hits have good advice for you.

(Of course, this is good practice for everyone else to follow as well...)

...dac
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