AMBER Archive (2008)

Subject: AMBER: Failure of antechamber in amber10

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Sun Sep 14 2008 - 09:18:49 CDT

I came across (but not examined) messages complaining about
antechamber in amber10 (amber tools 1.0). If present complaining is a
duplication of such messages, please forget about it.

I am dealing with pyrazine compounds, where antechamber in amber10
(ambertools 1.0) complains that atom 1 (N) is not a valid atom. I have
not fully investigated the issue as I am in a hurry, though, changing
to amber9, no error message and the prepin file is a valid file.

Notice that generation of the pdb file was with the same package that
I have always used with success with respect to antechamber. In
particular, the atom types were correct for the force fields used (MMX
MM3 MMFF94)

francesco pietra
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