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.war...@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-boun...@gromacs.org [mailto:gmx-users- > boun...@gromacs.org] On Behalf Of cqgzc > Sent: Monday, 18 March 2013 12:54 PM > To: gmx-users@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> > > > > -- > View this message in context: > http://gromacs.5086.n6.nabble.com/polymer-duplicate-atoms- > tp5006328p5006394.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
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