AMBER Archive (2006)

Subject: Re: AMBER: parameters for C=S

From: David A. Case (case_at_scripps.edu)
Date: Mon Jan 09 2006 - 17:04:52 CST

On Mon, Jan 09, 2006, alexandra.marques_at_fc.up.pt wrote:
>
> I used antechamber to derive parameters for a ligand. However, I could not
> get
> parameters for a region in which a carbon is double bonded to sulfur; this
> carbon is in a ring and is also connected to a N and C (R-N-CS-C-R).
> Antechamber did not recognize the S (it recognized S as DU)

Can you post the pdb or mol2 file you are using?

...thanks...dac

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