What would a minimization mean for a system which is not defined?
There are infinite number of "lysines" which correspond to this system?
Dr. Robert Molt Jr., Ph.D.
r.molt.chemical.physics.gmail.com
Nigel Richards Research Group
Department of Chemistry & Chemical Biology
Indiana University-Purdue University Indianapolis
LD 326
402 N. Blackford St.
Indianapolis, IN 46202
On 4/29/14 11:19 AM, Jean-Patrick Francoia wrote:
> Hello,
>
> I have a simple and quick question.
>
> Can Amber perform minimization if the pdb provided has no info about the
> atoms coordinates ?
> i. e let's admit we have something like that:
>
> ATOM 1 N LYS 1 0.000 0.000 0.000
> ATOM 2 H1 LYS 1 0.000 0.000 0.000
> ATOM 3 H2 LYS 1 0.000 0.000 0.000
>
> But all the residues are correctly numbered, and the atoms correctlt named.
>
> Regards
>
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Received on Tue Apr 29 2014 - 08:30:04 PDT
