AMBER Archive (2007)

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

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Fri Oct 26 2007 - 07:45:10 CDT

Quoting David Mobley <dmobley_at_gmail.com>:

>> 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.
>
> All I'm asking is, where do I get the version of LEaP that can save
> mol2 files? I am using the most recent version of LEaP from the
> Antechamber web page; it does not save mol2 files. Neither does the
> version of LEaP distributed with AMBER 9. Is there another version of
> LEaP that DOES save mol2 files? If so, where do I get it?

The current LEaP version from Antechamber, amber8, amber9 can read
mol2 files but canNOT save mol2 files. If you want to save mol2 files
in LEaP you have to download the modified LEaP source files we provide
on q4md-forcefieldtools, and recompile the LEaP version you use.

regards, Francois

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