[gmx-users] RE: polymer duplicate atoms

[cqgzc]

Dear Dallas
    
    Thanks for your reply. I followed the way of you said to modify the
residue number in sequence. It generated a complete sturctural file
(conf.gro) without deleting the duplicate atoms. However, it denoted another
strange structure which contained many seperated residue
—(CH2-CF2-CF2-CF2-CFCl)—
It's not the polymer structure.
f2311-new.pdb
<http://gromacs.5086.n6.nabble.com/file/n5006333/f2311-new.pdb>  



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