[gmx-users] [Fwd: pdb UNK residue]

Mark Abraham Mark.Abraham at anu.edu.au
Thu Aug 23 05:22:43 CEST 2007

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-------- Original Message --------
Subject: 	pdb UNK residue
Date: 	Wed, 22 Aug 2007 19:59:05 -0700 (PDT)
From: 	Sagittarius <deckuofm at yahoo.com>
To: 	mark.abraham at anu.edu.au

Thank you for your answer.
But I still need to make something clear.
If I understand it right, UNK is unknown.
It means parts of molecules are not defined, possibly, atoms.
HETATM    1  C01 UNK     0       0.000   0.302   0.000  0.00  0.00   0
HETATM    2  O02 UNK     0       0.000   1.510   0.000  0.00  0.00   0
HETATM    3  H03 UNK     0      -0.960  -0.262   0.000  0.00  0.00   0
HETATM    4  H04 UNK     0       0.960  -0.262   0.000  0.00  0.00   0
Names of these parts should be in rtp file (without explanations).
These parts should be defined like variables in programming.
It means I need to know names of such parts.
To know it, I need a list of names of all parts with their explanations.
This is what I want to find.
It would be good if you confirm that I am right or not.
And if I am right, could you please, inform me where to take the list of
names of the parts
with their explanations.
Thank you in advance.

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