AMBER Archive (2007)

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

From: David Mobley (dmobley_at_gmail.com)
Date: Wed Oct 24 2007 - 18:35:26 CDT

Hi,

On 10/24/07, FyD <fyd_at_q4md-forcefieldtools.org> wrote:
> For mol2 file format you could see the following pages:
> http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php
> and in particular:
> -I.3.3- The Tripos mol2 file format @
> http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php#15
> Please, see also the new "savemol2" command incorporated in LEaP
> -I.3.3.5- Using Tripos mol2 files in LEaP: Implementation of new
> features in LEaP @
> http://q4md-forcefieldtools.org/Tutorial/leap.php

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.

Thanks,
David
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