AMBER Archive (2007)

Subject: AMBER: antechamber question

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Sun May 20 2007 - 02:05:59 CDT


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

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.

Thanks

francesco pietra

 
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