On Mon, Apr 09, 2018, Thakur, Abhishek wrote:
>
> I am making oxidized and reduced form of amino acids by making them
> heteroatom.
I think we need more information than this. Generally, amber does not
make any distinction between ATOM and HETATM records in PDB files. If
you need a modified form for an amino acid, you need to give it a
different residue name.
> If I remove the TER before heteroatom it is not giving any problem. But
> amber automatically add ter after heteroatom.
We would need to see your workflow to offer much help. Remember that
Amber is a suite of (many) programs, so saying that "amber automatically
add[ed] ter" cards is not specific enough. Can you tell use exactly
what you did, and which Amber program added the TER card?
....dac
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Received on Mon Apr 09 2018 - 19:00:03 PDT
