AMBER Archive (2009)

Subject: Re: [AMBER] Protein with HETATM, am I doing the right thing

From: David A. Case (
Date: Sat May 23 2009 - 07:13:01 CDT

On Thu, May 21, 2009, nicholus bhattacharjee wrote:
> $ antechamber -i po4 -fi pdb -o po4.prepin -fo prepi -c bcc -s 2 -c -3
> (don't know any other charge value for PO4)

I was just pointing out that the ion in question might not be po4(3-).

> All I want to know that am
> I following the right path for proteins with heteroatoms present in them.

Sounds correct from what I could see....dac

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