[gmx-users] Re: polymer duplicate atoms

[Dallas Warren]

Have you done it with polymer chain of length 1, one FRE, with the end methyl groups capping it off, FBG and FEN?  Does that work?

Sounds bit like the RTP entry is not set up correctly.

Catch ya,

Dr. Dallas Warren
Drug Discovery Biology
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
+61 3 9903 9304
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail. 


> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-
> bounces at gromacs.org] On Behalf Of cqgzc
> Sent: Monday, 18 March 2013 12:54 PM
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Re: polymer duplicate atoms
> 
> I want to construct a polymer chain of F2311 with 112 length. In my pdb
> file,
> residues Fre, Fbg and Fen denote the repeat unit —(CH2-CF2-CF2-CFCl)—
> ,terminate part (Fbg:the beginning of chain with methyl; Fen: the end
> of
> chain with methyl), respectively. It looks like  CH3-A-B...
> A-B-A-B-A-B...-A-B-CH3(A means -CH2-CF2- and B represent -CF2-CFCl-).
> f2311-len112.jpg
> <http://gromacs.5086.n6.nabble.com/file/n5006394/f2311-len112.jpg>
> 
> 
> 
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