[gmx-users] Naming of DNA residues, and structure of .pdb file
pu_majidhasan at yahoo.com
Sun Apr 10 00:15:18 CEST 2011
Okay, thanks a lot.
From: Justin A. Lemkul <jalemkul at vt.edu>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Sat, April 9, 2011 3:05:48 PM
Subject: Re: [gmx-users] Naming of DNA residues, and structure of .pdb file
majid hasan wrote:
> Dear All,
> I am trying to make sure that the names of dna residues in my .pdb file match
>with .rtp file in the Amber forcefield. I looked up the residuetypes.dat file
>(attached), and it gives the names for DNA residues, which are of the form, DX,
>DX3, DX5, DXN (X=A,C,T,G). So if I have a residue X, then what is the difference
>between DX, DX3, so on i.e when do I name residue X as DX, and when as DX3, and
DX = normal residue
DX5 = 5' end
DX3 = 3' end
> Moreover, can anyone explain me the format of pdb file (attached) i.e what do
>different columns represent, so I can change the names of residues without
>making any error?
Justin A. Lemkul
ICTAS Doctoral Scholar
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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