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

From: FyD <>
Date: Fri, 26 Oct 2007 08:40:46 +0200

Quoting David Mobley <>:

>> 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.

Sorry, I still do not understand you: You go below. You have three
versions of files that can be downloaded and incorporated in three
different versions of LEaP.

regards, Francois

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Received on Sun Oct 28 2007 - 06:07:31 PDT
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