AMBER: antechamber question

From: Francesco Pietra <>
Date: Sun, 20 May 2007 00:05:59 -0700 (PDT)

Needing all the time new parameters, I was considering
to apply for Amber9, in view of using antechamber

I posed a vital question to antechamber directly,
which remained unanswered. It is posed anew here:

I am no Gaussian user, though my QM suite provides ESP
RESP and CRESP very reliably at HF-6-31G* level, with
check of dipole moments for fragment ensemble vs the
intact whole. That said, would antechamber be viable
by providing that way the Partial Charges? I would
like to become an Amber user if that is possible.


francesco pietra

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Received on Wed May 23 2007 - 06:07:03 PDT
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