AMBER Archive (2009)

Subject: Re: [AMBER] NALA-ALA-CALA peptide with antechamber

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Sat Apr 04 2009 - 08:04:32 CDT

On Fri, Apr 03, 2009, Alan wrote:
>
> I would like to have gaff matching the results for Amber99SB

This is generally not possible...these are two different force fields.
You can tell antechamber to use Amber atom types, then load
leaprc.ff99SB in the usual way. You may need to define some missing
parameters if you do this, depending on the molecule.

...dac

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