psfgen giving wrong structure in the autopdb file

From: Harish Srinivasan (harishlglk1992_at_gmail.com)
Date: Thu Apr 06 2017 - 01:37:29 CDT

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Hi,

I am trying to construct a psf file from a given pdb file. I am using an
rtf file for topology of the molecule. After the generating psf file, the
autopdb file generated has a really messed up structure.

I have attached the initial pdb & rtf files and the final generated autopdb
and autopsf files here.

What could be the reason behind this ?

Thank you
Harish

• application/rtf attachment: dodecylsulphate.rtf

• chemical/x-pdb attachment: dodecylsulphate2.pdb

• application/x-font-linux-psf attachment: dodecylsulphate2_autopsf.psf

• chemical/x-pdb attachment: dodecylsulphate2_autopsf.pdb

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