AMBER Archive (2005)

Subject: Re: AMBER: (no subject)

From: ping jiang (p_jiang2000_at_yahoo.com)
Date: Fri Dec 23 2005 - 20:25:19 CST

yes, I put "-c bcc" flag, the atomtype is correct, but
the charge is zero in each of atom of undecyl
group.....

--- "David A. Case" <case_at_scripps.edu> wrote:

> On Fri, Dec 23, 2005, ping jiang wrote:
>
> > I used Antechamer to
> > generate the undecyl-Ala-Leu with -1 charge to get
> the
> > atomtype and charge. I found the whole system had
> -1
> > charge, but the atoms in the undecyl still no
> charge.
>
> Did you incude the "-c bcc" flag to antechamber?
> The "-c" flag is used to
> specify which charge model you want.
>
> ....dac
>
>
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