AMBER Archive (2007)

Subject: Re: AMBER: prepin file format description; pointers on parameterization

From: David Mobley (dmobley_at_gmail.com)
Date: Thu Oct 25 2007 - 15:39:08 CDT

Hi,

> > This is really confusing. Which version of leap are you referring to
> > that has a savemol2 command? There is no such command in my (very
> > recent) version of leap.
>
> Did you read the tutorial ?
>
> In the introduction, it is written:
>
> This tutorial describes the use of the Tripos mol2 file format in the
> LEaP program (available in the AMBER program distribution and soon in
> the AMBER tools), and the conversion of a mol2 file into an AMBER OFF
> library. To this purpose, new commands have been implemented in LEaP
> and a perfect compatibility between R.E.D., R.E.DD.B. and LEaP is now
> observed. The complete description of these new commands is reported
> below along with examples.

Yes, I read that tutorial. As you note, it says that these new
commands have been implemented into leap. It doesn't say which version
of leap or where I can obtain it. I'm using the LATEST version of
leap, and the commands aren't in that version of leap. Hence, my
confusion.

David

> regards, Francois
>
>
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