[AMBER] Can we combine amber and gaff atom types?

From: Aditya G Rao <aditya.grao.mail.huji.ac.il>
Date: Thu, 27 Oct 2016 19:20:48 +0300

Dear Amber users,
I'm trying to parameterise a non-standard residue. The residue is composed
of a cysteine and a tetrapyrrole bound to the sulphur of this cysteine.

My question is whether I can combine gaff2 and Amber (e.g. ff14sb)
parameters for this non-standard residue? I could use ff14SB for the
cysteine that is well parametrized and gaff2 for the tetrapyrrole. Is it
necessary to use only gaff2 or only Amber parameters for the whole residue?

Thanks in advance!
Aditya 

-- 
Aditya G. Rao
PhD Student
Fritz Haber Research Center for Molecular Dynamics
Institute of Chemistry, HUJI
Givat Ram, Jerusalem, Israel
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Received on Thu Oct 27 2016 - 09:30:08 PDT
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