Re: [AMBER] MOL2 Output through LEAP

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Tue, 02 Feb 2010 22:19:20 +0100

Dear Matthew,

> Is there an undocumented option to output a mol2 file through leap
> (something like saveMol2)? The reason I ask is that it would be nice to
> have that to convert prep format files into mol2 format files.

The savemol2 command was incorporated in LEaP by Christine Cézard .
q4md-forcefieldtools.org

Please see
http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php
http://q4md-forcefieldtools.org/Tutorial/leap.php

regards, Francois



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Received on Tue Feb 02 2010 - 13:30:04 PST