AMBER Archive (2007)

Subject: AMBER: Substitute for GAFF

From: Evan Kelly (ebkelly_at_ualberta.ca)
Date: Fri Jul 06 2007 - 12:32:50 CDT

Hi Everyone,

I have performed some MD simulations on a series of organic molecules
using the GAFF forcefield parameters as assigned by antechamber. I'm
not certain if GAFF describes these molecules accurately and was
hoping to run some comparison simulations using another force-field.
Are there any options for 'importing' another force-field for organic
molecules into the Amber 9 suite of programs?

Thanks!

----------------------------------
Evan Kelly
ebkelly_at_ualberta.ca

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